5-(diethylamino)-2-[(2,6-dinitrophenyl)diazenyl]benzenesulfonic acid; sodium

Systemtic Name: 5-(diethylamino)-2-[(2,6-dinitrophenyl)diazenyl]benzenesulfonic acid; sodium Openeye Name: 5-(diethylamino)-2-(2,6-dinitrophenyl)azo-benzenesulfonic acid; sodium CAS Name: 5-(diethylamino)-2-(2,6-dinitrophenyl)azobenzenesulfonic acid; sodium IUPAC Name: 5-(diethylamino)-2-[(2,6-dinitrophenyl)diazenyl]benzenesulfonic acid; sodium Traditional Name: 5-(diethylamino)-2-(2,6-dinitrophenyl)azo-besylic acid; sodium Formula: C16H17N5NaO7S MolecularWeight: 446.39025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O7S.Na/c1-3-19(4-2)11-8-9-12(15(10-11)29(26,27)28)17-18-16-13(20(22)23)6-5-7-14(16)21(24)25;/h5-10H,3-4H2,1-2H3,(H,26,27,28);