5-[ethyl-(phenylmethyl)amino]-2-[(4-nitrophenyl)diazenyl]benzenesulfonic acid; sodium

Systemtic Name: 5-[ethyl-(phenylmethyl)amino]-2-[(4-nitrophenyl)diazenyl]benzenesulfonic acid; sodium Openeye Name: 5-[benzyl(ethyl)amino]-2-(4-nitrophenyl)azo-benzenesulfonic acid; sodium CAS Name: 5-[ethyl-(phenylmethyl)amino]-2-(4-nitrophenyl)azobenzenesulfonic acid; sodium IUPAC Name: 5-[benzyl(ethyl)amino]-2-[(4-nitrophenyl)diazenyl]benzenesulfonic acid; sodium Traditional Name: 5-[benzyl(ethyl)amino]-2-(4-nitrophenyl)azo-besylic acid; sodium Formula: C21H20N4NaO5S MolecularWeight: 463.46207

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)O.[Na]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)O.[Na]

InChI

InChI=1S/C21H20N4O5S.Na/c1-2-24(15-16-6-4-3-5-7-16)19-12-13-20(21(14-19)31(28,29)30)23-22-17-8-10-18(11-9-17)25(26)27;/h3-14H,2,15H2,1H3,(H,28,29,30);