Molecule:100986: Difference between revisions
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molecule
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M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C1C2N3[Co]45N6C(=C(C7C=CC(=CC=7)S([O-])(=O)=O)C7=N4C(=C(C4C=CC(=CC=4)S([O-])(=O)=O)C4N5C(C=2C2C=CC(=CC=2)S([O-])(=O)=O)=CC=4)C=C7)C=CC=6C(C2C=CC(=CC=2)S([O-])(=O)=O)=C3C=1 | |smiles=C1C2N3[Co]45N6C(=C(C7C=CC(=CC=7)S([O-])(=O)=O)C7=N4C(=C(C4C=CC(=CC=4)S([O-])(=O)=O)C4N5C(C=2C2C=CC(=CC=2)S([O-])(=O)=O)=CC=4)C=C7)C=CC=6C(C2C=CC(=CC=2)S([O-])(=O)=O)=C3C=1 | ||
|inchi=1S/C44H28N4O12S4.Co/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57;/h1-24H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);/q-2;+2/p-4/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-; | |inchi=1S/C44H28N4O12S4.Co/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57;/h1-24H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);/q-2;+2/p-4/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-; | ||
Revision as of 15:34, 11 December 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | 986.96274552764 |
| Molecular formula | C44H24CoN4O12S4-4 |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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