3-[(2Z)-2-(1-oxidanylidene-4,8-disulfo-naphthalen-2-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 3-[(2Z)-2-(1-oxidanylidene-4,8-disulfo-naphthalen-2-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 3-[(2Z)-2-(1-oxo-4,8-disulfo-2-naphthylidene)hydrazino]-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-[(2Z)-2-(1-oxo-4,8-disulfo-2-naphthalenylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-[(2Z)-2-(1-oxo-4,8-disulfonaphthalen-2-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-[(N'Z)-N'-(1-keto-4,8-disulfo-2-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(=C1)S(=O)(=O)O)C(=O)C(=NNC3=NNC(=N3)C(=O)O)C=C2S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)/C(=N\NC3=NNC(=N3)C(=O)O)/C=C2S(=O)(=O)O

InChI

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