sodium 4-[[4-(dimethylamino)naphthalen-1-yl]diazenyl]benzenesulfonate

Systemtic Name: sodium 4-[[4-(dimethylamino)naphthalen-1-yl]diazenyl]benzenesulfonate Openeye Name: sodium 4-[[4-(dimethylamino)-1-naphthyl]azo]benzenesulfonate CAS Name: sodium 4-[[4-(dimethylamino)-1-naphthalenyl]azo]benzenesulfonate IUPAC Name: sodium 4-[[4-(dimethylamino)naphthalen-1-yl]diazenyl]benzenesulfonate Traditional Name: sodium 4-[[4-(dimethylamino)-1-naphthyl]azo]besylate Formula: C18H16N3NaO3S MolecularWeight: 377.39271

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C2=CC=CC=C21)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CN(C)C1=CC=C(C2=CC=CC=C21)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H17N3O3S.Na/c1-21(2)18-12-11-17(15-5-3-4-6-16(15)18)20-19-13-7-9-14(10-8-13)25(22,23)24;/h3-12H,1-2H3,(H,22,23,24);/q;+1/p-1