3-[(2Z)-2-(2-oxidanylidene-3,6-disulfo-naphthalen-1-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 3-[(2Z)-2-(2-oxidanylidene-3,6-disulfo-naphthalen-1-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 3-[(2Z)-2-(2-oxo-3,6-disulfo-1-naphthylidene)hydrazino]-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-[(2Z)-2-(2-oxo-3,6-disulfo-1-naphthalenylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-[(2Z)-2-(2-oxo-3,6-disulfonaphthalen-1-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-[(N'Z)-N'-(2-keto-3,6-disulfo-1-naphthylidene)hydrazino]-1H-1,2,4-triazole-5-carboxylic acid Formula: C13H9N5O9S2 MolecularWeight: 443.36866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)C=C(C(=O)C2=NNC3=NNC(=N3)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC\2=C(C=C1S(=O)(=O)O)C=C(C(=O)/C2=N\NC3=NNC(=N3)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H9N5O9S2/c19-10-8(29(25,26)27)4-5-3-6(28(22,23)24)1-2-7(5)9(10)15-17-13-14-11(12(20)21)16-18-13/h1-4H,(H,20,21)(H,22,23,24)(H,25,26,27)(H2,14,16,17,18)/b15-9-