4-[(2E)-2-(5-azanyl-4-oxidanylidene-2,7-disulfo-naphthalen-1-ylidene)hydrazinyl]benzoic acid

Systemtic Name: 4-[(2E)-2-(5-azanyl-4-oxidanylidene-2,7-disulfo-naphthalen-1-ylidene)hydrazinyl]benzoic acid Openeye Name: 4-[(2E)-2-(5-amino-4-oxo-2,7-disulfo-1-naphthylidene)hydrazino]benzoic acid CAS Name: 4-[(2E)-2-(5-amino-4-oxo-2,7-disulfo-1-naphthalenylidene)hydrazinyl]benzoic acid IUPAC Name: 4-[(2E)-2-(5-amino-4-oxo-2,7-disulfonaphthalen-1-ylidene)hydrazinyl]benzoic acid Traditional Name: 4-[(N'E)-N'-(5-amino-4-keto-2,7-disulfo-1-naphthylidene)hydrazino]benzoic acid Formula: C17H13N3O9S2 MolecularWeight: 467.42982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NN=C2C3=CC(=CC(=C3C(=O)C=C2S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N/N=C/2\C3=CC(=CC(=C3C(=O)C=C2S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C17H13N3O9S2/c18-12-6-10(30(24,25)26)5-11-15(12)13(21)7-14(31(27,28)29)16(11)20-19-9-3-1-8(2-4-9)17(22)23/h1-7,19H,18H2,(H,22,23)(H,24,25,26)(H,27,28,29)/b20-16+