Molecule:100954: Difference between revisions
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molecule
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M END | M END | ||
|smiles=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 | |smiles=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 | ||
|inchi=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+;;;;;; | |inchi=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+;;;;;; | ||
Revision as of 12:18, 15 May 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | 1296.228971988 |
| Molecular formula | C65H54BrN6O3ReZn |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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