2-[(2Z)-2-(1-azanyl-8-oxidanylidene-3,6-disulfo-naphthalen-2-ylidene)hydrazinyl]benzoic acid

Systemtic Name: 2-[(2Z)-2-(1-azanyl-8-oxidanylidene-3,6-disulfo-naphthalen-2-ylidene)hydrazinyl]benzoic acid Openeye Name: 2-[(2Z)-2-(1-amino-8-oxo-3,6-disulfo-2-naphthylidene)hydrazino]benzoic acid CAS Name: 2-[(2Z)-2-(1-amino-8-oxo-3,6-disulfo-2-naphthalenylidene)hydrazinyl]benzoic acid IUPAC Name: 2-[(2Z)-2-(1-amino-8-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinyl]benzoic acid Traditional Name: 2-[(N'Z)-N'-(1-amino-8-keto-3,6-disulfo-2-naphthylidene)hydrazino]benzoic acid Formula: C17H13N3O9S2 MolecularWeight: 467.42982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NN=C2C(=CC3=CC(=CC(=O)C3=C2N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)N/N=C/2\C(=CC3=CC(=CC(=O)C3=C2N)S(=O)(=O)O)S(=O)(=O)O

InChI

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