sodium 2-[(4-azanyl-2,5-dimethyl-phenyl)diazenyl]-3,5-dimethyl-benzenesulfonate

Systemtic Name: sodium 2-[(4-azanyl-2,5-dimethyl-phenyl)diazenyl]-3,5-dimethyl-benzenesulfonate Openeye Name: sodium 2-(4-amino-2,5-dimethyl-phenyl)azo-3,5-dimethyl-benzenesulfonate CAS Name: sodium 2-(4-amino-2,5-dimethylphenyl)azo-3,5-dimethylbenzenesulfonate IUPAC Name: sodium 2-[(4-amino-2,5-dimethylphenyl)diazenyl]-3,5-dimethylbenzenesulfonate Traditional Name: sodium 2-(4-amino-2,5-dimethyl-phenyl)azo-3,5-dimethyl-besylate Formula: C16H18N3NaO3S MolecularWeight: 355.38719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)[O-])N=NC2=C(C=C(C(=C2)C)N)C)C.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)[O-])N=NC2=C(C=C(C(=C2)C)N)C)C.[Na+]

InChI

InChI=1S/C16H19N3O3S.Na/c1-9-5-12(4)16(15(6-9)23(20,21)22)19-18-14-8-10(2)13(17)7-11(14)3;/h5-8H,17H2,1-4H3,(H,20,21,22);/q;+1/p-1