sodium; 2-[[[(E)-(2-sulfophenyl)methylideneamino]carbamoylhydrazinylidene]methyl]benzenesulfonic acid

Systemtic Name: sodium; 2-[[[(E)-(2-sulfophenyl)methylideneamino]carbamoylhydrazinylidene]methyl]benzenesulfonic acid Openeye Name: sodium; 2-[[[(E)-(2-sulfophenyl)methyleneamino]carbamoylhydrazono]methyl]benzenesulfonic acid CAS Name: 2-[[[oxo-[(2E)-2-[(2-sulfophenyl)methylidene]hydrazinyl]methyl]hydrazinylidene]methyl]benzenesulfonic acid; sodium IUPAC Name: sodium; 2-[[[(E)-(2-sulfophenyl)methylideneamino]carbamoylhydrazinylidene]methyl]benzenesulfonic acid Traditional Name: sodium; 2-[[[(E)-(2-sulfobenzylidene)amino]carbamoylhydrazono]methyl]besylic acid Formula: C15H14N4NaO7S2 MolecularWeight: 449.41403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NNC(=O)NN=CC2=CC=CC=C2S(=O)(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC=C(C(=C1)C=NNC(=O)N/N=C/C2=CC=CC=C2S(=O)(=O)O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C15H14N4O7S2.Na/c20-15(18-16-9-11-5-1-3-7-13(11)27(21,22)23)19-17-10-12-6-2-4-8-14(12)28(24,25)26;/h1-10H,(H2,18,19,20)(H,21,22,23)(H,24,25,26);/b16-9+,17-10?;