[(3-nitrophenyl)amino]-phenyl-methanesulfonic acid; sodium

Systemtic Name: [(3-nitrophenyl)amino]-phenyl-methanesulfonic acid; sodium Openeye Name: (3-nitroanilino)-phenyl-methanesulfonic acid; sodium CAS Name: (3-nitroanilino)-phenylmethanesulfonic acid; sodium IUPAC Name: (3-nitroanilino)-phenylmethanesulfonic acid; sodium Traditional Name: (3-nitroanilino)-phenyl-methanesulfonic acid; sodium Formula: C13H12N2NaO5S MolecularWeight: 331.29955

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC=C(C=C1)C(NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)O.[Na]

InChI

InChI=1S/C13H12N2O5S.Na/c16-15(17)12-8-4-7-11(9-12)14-13(21(18,19)20)10-5-2-1-3-6-10;/h1-9,13-14H,(H,18,19,20);