sodium; 2-[(4-azanyl-2,5-dimethyl-phenyl)diazenyl]-3,5-dimethyl-benzenesulfonic acid; hydride

Systemtic Name: sodium; 2-[(4-azanyl-2,5-dimethyl-phenyl)diazenyl]-3,5-dimethyl-benzenesulfonic acid; hydride Openeye Name: sodium; 2-(4-amino-2,5-dimethyl-phenyl)azo-3,5-dimethyl-benzenesulfonic acid; hydride CAS Name: sodium; 2-(4-amino-2,5-dimethylphenyl)azo-3,5-dimethylbenzenesulfonic acid; hydride IUPAC Name: sodium; 2-[(4-amino-2,5-dimethylphenyl)diazenyl]-3,5-dimethylbenzenesulfonic acid; hydride Traditional Name: sodium; 2-(4-amino-2,5-dimethyl-phenyl)azo-3,5-dimethyl-besylic acid; hydride Formula: C16H20N3NaO3S MolecularWeight: 357.40307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[H-].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.H/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;-1