3-[(2E)-2-(7-oxidanyl-2-oxidanylidene-3,6-disulfo-naphthalen-1-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 3-[(2E)-2-(7-oxidanyl-2-oxidanylidene-3,6-disulfo-naphthalen-1-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 3-[(2E)-2-(7-hydroxy-2-oxo-3,6-disulfo-1-naphthylidene)hydrazino]-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-[(2E)-2-(7-hydroxy-2-oxo-3,6-disulfo-1-naphthalenylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-[(2E)-2-(7-hydroxy-2-oxo-3,6-disulfonaphthalen-1-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-[(N'E)-N'-(7-hydroxy-2-keto-3,6-disulfo-1-naphthylidene)hydrazino]-1H-1,2,4-triazole-5-carboxylic acid Formula: C13H9N5O10S2 MolecularWeight: 459.36806

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C(=O)C(=NNC3=NNC(=N3)C(=O)O)C2=CC(=C1S(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C(=O)/C(=N/NC3=NNC(=N3)C(=O)O)/C2=CC(=C1S(=O)(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C13H9N5O10S2/c19-6-3-5-4(1-7(6)29(23,24)25)2-8(30(26,27)28)10(20)9(5)15-17-13-14-11(12(21)22)16-18-13/h1-3,19H,(H,21,22)(H,23,24,25)(H,26,27,28)(H2,14,16,17,18)/b15-9+