[ { "@id": "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Molecule-3A100954", "@type": [ "http://semantic-mediawiki.org/swivt/1.0#Subject", "http://purl.obolibrary.org/obo/CHEBI_23367" ], "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "Molecule:100954", "@type": "" } ], "http://www.w3.org/2000/01/rdf-schema#isDefinedBy": [ { "@id": "https://chemwiki.scc.kit.edu/main/mediawiki/Special:ExportRDF/Molecule-3A100954" } ], "http://semantic-mediawiki.org/swivt/1.0#page": [ { "@id": "https://chemwiki.scc.kit.edu/main/mediawiki/Molecule-3A100954" } ], "http://semantic-mediawiki.org/swivt/1.0#wikiNamespace": [ { "@value": "3300", "@type": "http://www.w3.org/2001/XMLSchema#integer" } ], "http://semantic-mediawiki.org/swivt/1.0#wikiPageContentLanguage": [ { "@value": "en" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3AAbbreviation": [ { "@value": "(Zn(tBuPP))-(Re(Phen)Br(CO)3)" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3AInChI": [ { "@value": "1S/C62H54N6.3CO.BrH.Re.Zn/c1-60(2,3)42-21-14-37(15-22-42)54-45-28-30-47(64-45)55(38-16-23-43(24-17-38)61(4,5)6)49-32-34-51(66-49)57(53-27-20-41-13-12-40-11-10-36-63-58(40)59(41)68-53)52-35-33-50(67-52)56(48-31-29-46(54)65-48)39-18-25-44(26-19-39)62(7,8)9;3*1-2;;;/h10-36H,1-9H3;;;;1H;;/q-2;;;;;+1;+2/p-1/b54-45-,54-46-,55-47-,55-49-,56-48-,56-50-,57-51+,57-52+;;;;;;" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3AInChIKey": [ { "@value": "LYVLANYMDXKDOV-CVVGJFHCSA-M" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3AMolfile": [ { "@value": "-INDIGO-05152413072D\n\n 0 0 0 0 0 0 0 0 0 0 0 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 77 91 0 0 0\nM V30 BEGIN ATOM\nM V30 1 C 5.78617 -7.21572 0.0 0\nM V30 2 C 6.46968 -7.88753 0.0 0\nM V30 3 C 7.39259 -7.38012 0.0 0\nM V30 4 N 7.24189 -6.45401 0.0 0\nM V30 5 C 6.24178 -6.28441 0.0 0\nM V30 6 C 6.49788 -2.92928 0.0 0\nM V30 7 C 5.79067 -3.64888 0.0 0\nM V30 8 C 6.22618 -4.50099 0.0 0\nM V30 9 N 7.18759 -4.31439 0.0 0\nM V30 10 C 7.39309 -3.34948 0.0 0\nM V30 11 C 5.77057 -5.4325 0.0 0\nM V30 12 C 10.7476 -3.53428 0.0 0\nM V30 13 C 10.0641 -2.86247 0.0 0\nM V30 14 C 9.14081 -3.33418 0.0 0\nM V30 15 N 9.32791 -4.33129 0.0 0\nM V30 16 C 10.2564 -4.46599 0.0 0\nM V30 17 C 8.2807 -2.87807 0.0 0\nM V30 18 C 10.1077 -7.85583 0.0 0\nM V30 19 C 10.7794 -7.17212 0.0 0\nM V30 20 C 10.3074 -6.21331 0.0 0\nM V30 21 N 9.31061 -6.43601 0.0 0\nM V30 22 C 9.14071 -7.40052 0.0 0\nM V30 23 C 8.2886 -7.87163 0.0 0\nM V30 24 C 10.7636 -5.3532 0.0 0\nM V30 25 Zn 8.2 -5.4 0.0 0\nM V30 26 C 8.28039 -1.87807 0.0 0\nM V30 27 C 4.77089 -5.45767 0.0 0\nM V30 28 C 11.7635 -5.33737 0.0 0\nM V30 29 C 8.29026 -8.87162 0.0 0\nM V30 30 C 3.27323 -6.32424 0.0 0\nM V30 31 C 4.27087 -6.3245 0.0 0\nM V30 32 C 2.77218 -5.45774 0.0 0\nM V30 33 C 4.26783 -4.5877 0.0 0\nM V30 34 C 3.26778 -4.59416 0.0 0\nM V30 35 C 7.41381 -0.380413 0.0 0\nM V30 36 C 7.41355 -1.37805 0.0 0\nM V30 37 C 8.28032 0.12064 0.0 0\nM V30 38 C 9.15036 -1.37502 0.0 0\nM V30 39 C 9.14389 -0.374964 0.0 0\nM V30 40 C 9.15683 -10.3693 0.0 0\nM V30 41 C 9.15709 -9.37165 0.0 0\nM V30 42 C 8.29033 -10.8703 0.0 0\nM V30 43 C 7.42029 -9.37468 0.0 0\nM V30 44 C 7.42675 -10.3747 0.0 0\nM V30 45 C 13.2612 -4.47079 0.0 0\nM V30 46 N 12.2635 -4.47053 0.0 0\nM V30 47 C 13.7622 -5.3373 0.0 0\nM V30 48 C 12.2666 -6.20734 0.0 0\nM V30 49 C 13.2666 -6.20088 0.0 0\nM V30 50 C 1.77218 -5.45937 0.0 0\nM V30 51 C 1.27076 -4.59416 0.0 0\nM V30 52 C 1.27359 -6.32621 0.0 0\nM V30 53 C 0.772179 -5.461 0.0 0\nM V30 54 C 8.27868 1.12064 0.0 0\nM V30 55 C 9.14389 1.62205 0.0 0\nM V30 56 C 7.41184 1.61922 0.0 0\nM V30 57 C 8.27705 2.12064 0.0 0\nM V30 58 C 8.29196 -11.8703 0.0 0\nM V30 59 C 7.42675 -12.3718 0.0 0\nM V30 60 C 9.1588 -12.3689 0.0 0\nM V30 61 C 8.29359 -12.8703 0.0 0\nM V30 62 C 13.7601 -3.6066 0.0 0\nM V30 63 C 14.7612 -3.60564 0.0 0\nM V30 64 C 14.7674 -5.33633 0.0 0\nM V30 65 C 15.2617 -4.46669 0.0 0\nM V30 66 N 13.2608 -2.74239 0.0 0\nM V30 67 C 13.7604 -1.87453 0.0 0\nM V30 68 C 15.2629 -2.73431 0.0 0\nM V30 69 C 14.7565 -1.87137 0.0 0\nM V30 70 Re 12.075 -3.15 0.0 0\nM V30 71 Br 11.35 -4.075 0.0 0\nM V30 72 C 11.1286 -2.72054 0.0 0 CHG=-1\nM V30 73 C 11.85 -2.25 0.0 0 CHG=-1\nM V30 74 C 12.8 -2.15 0.0 0 CHG=-1\nM V30 75 O 10.4214 -2.01343 0.0 0 CHG=1\nM V30 76 O 11.5912 -1.28407 0.0 0 CHG=1\nM V30 77 O 12.8 -1.15 0.0 0 CHG=1\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 2 1 2\nM V30 2 1 2 3\nM V30 3 2 3 4\nM V30 4 1 4 5\nM V30 5 1 1 5\nM V30 6 2 5 11\nM V30 7 1 3 23\nM V30 8 1 6 7\nM V30 9 2 7 8\nM V30 10 1 8 9\nM V30 11 1 9 10\nM V30 12 2 6 10\nM V30 13 1 10 17\nM V30 14 1 8 11\nM V30 15 2 12 13\nM V30 16 1 13 14\nM V30 17 1 14 15\nM V30 18 2 15 16\nM V30 19 1 12 16\nM V30 20 1 16 24\nM V30 21 2 14 17\nM V30 22 2 18 19\nM V30 23 1 19 20\nM V30 24 1 20 21\nM V30 25 1 21 22\nM V30 26 1 18 22\nM V30 27 2 22 23\nM V30 28 2 20 24\nM V30 29 1 9 25\nM V30 30 1 25 21\nM V30 31 8 4 25\nM V30 32 8 25 15\nM V30 33 1 17 26\nM V30 34 1 11 27\nM V30 35 1 24 28\nM V30 36 1 23 29\nM V30 37 2 31 27\nM V30 38 2 32 30\nM V30 39 1 27 33\nM V30 40 1 30 31\nM V30 41 2 33 34\nM V30 42 1 34 32\nM V30 43 2 36 26\nM V30 44 2 37 35\nM V30 45 1 26 38\nM V30 46 1 35 36\nM V30 47 2 38 39\nM V30 48 1 39 37\nM V30 49 2 41 29\nM V30 50 2 42 40\nM V30 51 1 29 43\nM V30 52 1 40 41\nM V30 53 2 43 44\nM V30 54 1 44 42\nM V30 55 2 46 28\nM V30 56 2 47 45\nM V30 57 1 28 48\nM V30 58 1 45 46\nM V30 59 2 48 49\nM V30 60 1 49 47\nM V30 61 1 32 50\nM V30 62 1 50 51\nM V30 63 1 50 52\nM V30 64 1 50 53\nM V30 65 1 37 54\nM V30 66 1 54 55\nM V30 67 1 54 56\nM V30 68 1 54 57\nM V30 69 1 42 58\nM V30 70 1 58 59\nM V30 71 1 58 60\nM V30 72 1 58 61\nM V30 73 2 63 62\nM V30 74 1 47 64\nM V30 75 1 62 45\nM V30 76 2 64 65\nM V30 77 1 65 63\nM V30 78 2 67 66\nM V30 79 1 63 68\nM V30 80 1 66 62\nM V30 81 2 68 69\nM V30 82 1 69 67\nM V30 83 8 46 70\nM V30 84 8 70 66\nM V30 85 1 71 70\nM V30 86 3 72 75\nM V30 87 3 73 76\nM V30 88 3 74 77\nM V30 89 8 70 72\nM V30 90 8 70 73\nM V30 91 8 70 74\nM V30 END BOND\nM V30 END CTAB\nM END" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3ASmiles": [ { "@value": "C1C2=C(C3C=CC(C(C)(C)C)=CC=3)C3N4[Zn]56~N7=C(C(C8C=CC9C=CC%10C=CC=N%11~[Re](~[C-]#[O+])(~[C-]#[O+])(~[C-]#[O+])(Br)~N=8C=9C=%10%11)=C8N5C(=C(C5C=CC(C(C)(C)C)=CC=5)C(=N2~6)C=1)C=C8)C=CC7=C(C1C=CC(C(C)(C)C)=CC=1)C4=CC=3" } ], "http://semantic-mediawiki.org/swivt/1.0#wikiPageCreationDate": [ { "@value": "2024-05-15T11:12:03Z", "@type": "http://www.w3.org/2001/XMLSchema#dateTime" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3ACreation_date-23aux": [ { "@value": "2460445.9667014", "@type": "http://www.w3.org/2001/XMLSchema#double" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3ALast_editor_is": [ { "@id": "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/User-3A127.0.0.1" } ], "http://semantic-mediawiki.org/swivt/1.0#wikiPageModificationDate": [ { "@value": "2025-11-21T10:43:03Z", "@type": "http://www.w3.org/2001/XMLSchema#dateTime" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3AModification_date-23aux": [ { "@value": "2461000.9465625", "@type": "http://www.w3.org/2001/XMLSchema#double" } ], "http://semantic-mediawiki.org/swivt/1.0#wikiPageSortKey": [ { "@value": "100954" } ] } ]