sodium 3-[(4-azanylnaphthalen-1-yl)diazenyl]benzenesulfonate

Systemtic Name: sodium 3-[(4-azanylnaphthalen-1-yl)diazenyl]benzenesulfonate Openeye Name: sodium 3-[(4-amino-1-naphthyl)azo]benzenesulfonate CAS Name: sodium 3-[(4-amino-1-naphthalenyl)azo]benzenesulfonate IUPAC Name: sodium 3-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonate Traditional Name: sodium 3-[(4-amino-1-naphthyl)azo]besylate Formula: C16H12N3NaO3S MolecularWeight: 349.33955

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=CC=C3)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=CC=C3)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C16H13N3O3S.Na/c17-15-8-9-16(14-7-2-1-6-13(14)15)19-18-11-4-3-5-12(10-11)23(20,21)22;/h1-10H,17H2,(H,20,21,22);/q;+1/p-1