Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C46H27N7O14S4.4Na |
| Molecular Weight | 1121.964 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 3 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].[Na+].OC1=C2C(=CC(=C1)S([O-])(=O)=O)C=C(C=C2\N=N\C3=CC=C(\N=N\C4=CC=C(\N=N\C5=C(O)C6=CC=C(NC7=CC=CC=C7)C=C6C=C5S([O-])(=O)=O)C8=CC(=CC=C48)S([O-])(=O)=O)C9=CC=CC=C39)S([O-])(=O)=O
InChI
InChIKey=KQZDRGKMSIEFDF-MJFZQJADSA-J
InChI=1S/C46H31N7O14S4.4Na/c54-42-24-31(70(62,63)64)20-26-19-30(69(59,60)61)23-41(44(26)42)52-50-38-15-14-37(33-8-4-5-9-34(33)38)48-49-39-16-17-40(36-22-29(68(56,57)58)11-13-35(36)39)51-53-45-43(71(65,66)67)21-25-18-28(10-12-32(25)46(45)55)47-27-6-2-1-3-7-27;;;;/h1-24,47,54-55H,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4/b49-48+,52-50+,53-51+;;;;
Approval Year
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| Code System | Code | Type | Description | ||
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3AI8M8YWKB
Created by
admin on Sat Dec 16 11:53:46 UTC 2023 , Edited by admin on Sat Dec 16 11:53:46 UTC 2023
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PRIMARY | |||
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228-374-2
Created by
admin on Sat Dec 16 11:53:46 UTC 2023 , Edited by admin on Sat Dec 16 11:53:46 UTC 2023
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6252-57-9
Created by
admin on Sat Dec 16 11:53:46 UTC 2023 , Edited by admin on Sat Dec 16 11:53:46 UTC 2023
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PRIMARY |
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
