5-[2-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]-4-sulfo-phenyl]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]-4-sulfo-phenyl]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-[2-(2-imino-8-oxo-6-sulfo-1-naphthyl)hydrazino]-4-sulfo-phenyl]sulfonyl-benzoic acid CAS Name: 2-hydroxy-5-[2-[(2-imino-8-oxo-6-sulfo-1-naphthalenyl)hydrazo]-4-sulfophenyl]sulfonylbenzoic acid IUPAC Name: 2-hydroxy-5-[2-[2-(2-imino-8-oxo-6-sulfonaphthalen-1-yl)hydrazinyl]-4-sulfophenyl]sulfonylbenzoic acid Traditional Name: 2-hydroxy-5-[2-[N'-(2-imino-8-keto-6-sulfo-1-naphthyl)hydrazino]-4-sulfo-phenyl]sulfonyl-benzoic acid Formula: C23H17N3O12S3 MolecularWeight: 623.58898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=N)C(=C2C1=CC(=CC2=O)S(=O)(=O)O)NNC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

C1=CC(=N)C(=C2C1=CC(=CC2=O)S(=O)(=O)O)NNC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O

InChI

InChI=1S/C23H17N3O12S3/c24-16-4-1-11-7-14(41(36,37)38)10-19(28)21(11)22(16)26-25-17-9-13(40(33,34)35)3-6-20(17)39(31,32)12-2-5-18(27)15(8-12)23(29)30/h1-10,24-27H,(H,29,30)(H,33,34,35)(H,36,37,38)