(3E)-4-oxidanylidene-3-(1H-1,2,4-triazol-5-ylhydrazinylidene)naphthalene-1-sulfonic acid

Systemtic Name: (3E)-4-oxidanylidene-3-(1H-1,2,4-triazol-5-ylhydrazinylidene)naphthalene-1-sulfonic acid Openeye Name: (3E)-4-oxo-3-(1H-1,2,4-triazol-5-ylhydrazono)naphthalene-1-sulfonic acid CAS Name: (3E)-4-oxo-3-(1H-1,2,4-triazol-5-ylhydrazinylidene)-1-naphthalenesulfonic acid IUPAC Name: (3E)-4-oxo-3-(1H-1,2,4-triazol-5-ylhydrazinylidene)naphthalene-1-sulfonic acid Traditional Name: (3E)-4-keto-3-(1H-1,2,4-triazol-5-ylhydrazono)naphthalene-1-sulfonic acid Formula: C12H9N5O4S MolecularWeight: 319.29596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=NNC3=NC=NN3)C2=O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C/C(=N\NC3=NC=NN3)/C2=O)S(=O)(=O)O

InChI

InChI=1S/C12H9N5O4S/c18-11-8-4-2-1-3-7(8)10(22(19,20)21)5-9(11)15-17-12-13-6-14-16-12/h1-6H,(H,19,20,21)(H2,13,14,16,17)/b15-9+