Molecule:100491: Difference between revisions
From ChemWiki
molecule
(auto-generated) |
(auto-generated) |
||
| Line 4: | Line 4: | ||
|abbrev= | |abbrev= | ||
|molecularFormula= | |molecularFormula= | ||
|hasVendors= | |hasVendors= | ||
|moleculeKey=KKIYMZRLDGFDKM-AQZHRKEBSA-O | |moleculeKey=KKIYMZRLDGFDKM-AQZHRKEBSA-O | ||
|molOrRxn= | |molOrRxn= | ||
| Line 133: | Line 133: | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=N1/C2=C(/C3C=CC=C[N+]=3C)\C3=CC=C4/C(/C5C=CC=C[N+]=5C)=C5/C=CC(/C(/C6C=CC=C[N+]=6C)=C6/C=C/C(=C(\C7C=CC=C[N+]=7C)/C=1C=C\2)/N/6[Co]N34)=N/5 | |smiles=N1/C2=C(/C3C=CC=C[N+]=3C)\C3=CC=C4/C(/C5C=CC=C[N+]=5C)=C5/C=CC(/C(/C6C=CC=C[N+]=6C)=C6/C=C/C(=C(\C7C=CC=C[N+]=7C)/C=1C=C\2)/N/6[Co]N34)=N/5 | ||
|inchi=1S/C44H37N8.Co/c1-49-25-9-5-13-37(49)41-29-17-19-31(45-29)42(38-14-6-10-26-50(38)2)33-21-23-35(47-33)44(40-16-8-12-28-52(40)4)36-24-22-34(48-36)43(32-20-18-30(41)46-32)39-15-7-11-27-51(39)3;/h5-28H,1-4H3,(H,45,46,47,48);/q+3;/p+1/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+; | |inchi=1S/C44H37N8.Co/c1-49-25-9-5-13-37(49)41-29-17-19-31(45-29)42(38-14-6-10-26-50(38)2)33-21-23-35(47-33)44(40-16-8-12-28-52(40)4)36-24-22-34(48-36)43(32-20-18-30(41)46-32)39-15-7-11-27-51(39)3;/h5-28H,1-4H3,(H,45,46,47,48);/q+3;/p+1/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+; | ||
Revision as of 14:30, 10 November 2022
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | n/a |
| Molecular formula | n/a |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
Click here to copy MOL-file.
Click here to show SMILES and InChI.
