3-[(pyridin-4-ylcarbonylhydrazinylidene)methyl]benzenesulfonic acid; sodium

Systemtic Name: 3-[(pyridin-4-ylcarbonylhydrazinylidene)methyl]benzenesulfonic acid; sodium Openeye Name: 3-[(pyridine-4-carbonylhydrazono)methyl]benzenesulfonic acid; sodium CAS Name: 3-[[[oxo(pyridin-4-yl)methyl]hydrazinylidene]methyl]benzenesulfonic acid; sodium IUPAC Name: 3-[(pyridine-4-carbonylhydrazinylidene)methyl]benzenesulfonic acid; sodium Traditional Name: 3-[(isonicotinoylhydrazono)methyl]besylic acid; sodium Formula: C13H11N3NaO4S MolecularWeight: 328.29891

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)C=NNC(=O)C2=CC=NC=C2.[Na]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)C=NNC(=O)C2=CC=NC=C2.[Na]

InChI

InChI=1S/C13H11N3O4S.Na/c17-13(11-4-6-14-7-5-11)16-15-9-10-2-1-3-12(8-10)21(18,19)20;/h1-9H,(H,16,17)(H,18,19,20);