3-[(2E)-2-(8-acetamido-1-oxidanylidene-3,6-disulfo-naphthalen-2-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 3-[(2E)-2-(8-acetamido-1-oxidanylidene-3,6-disulfo-naphthalen-2-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 3-[(2E)-2-(8-acetamido-1-oxo-3,6-disulfo-2-naphthylidene)hydrazino]-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-[(2E)-2-(8-acetamido-1-oxo-3,6-disulfo-2-naphthalenylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-[(2E)-2-(8-acetamido-1-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-[(N'E)-N'-(8-acetamido-1-keto-3,6-disulfo-2-naphthylidene)hydrazino]-1H-1,2,4-triazole-5-carboxylic acid Formula: C15H12N6O10S2 MolecularWeight: 500.41998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=NNC3=NNC(=N3)C(=O)O)C2=O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(/C(=N/NC3=NNC(=N3)C(=O)O)/C2=O)S(=O)(=O)O

InChI

InChI=1S/C15H12N6O10S2/c1-5(22)16-8-4-7(32(26,27)28)2-6-3-9(33(29,30)31)11(12(23)10(6)8)18-20-15-17-13(14(24)25)19-21-15/h2-4H,1H3,(H,16,22)(H,24,25)(H,26,27,28)(H,29,30,31)(H2,17,19,20,21)/b18-11-