2-azanyl-3,4-dimethyl-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-3,4-dimethyl-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid Openeye Name: 2-amino-3,4-dimethyl-5-(4-sulfophenyl)azo-benzenesulfonic acid CAS Name: 2-amino-3,4-dimethyl-5-(4-sulfophenyl)azobenzenesulfonic acid IUPAC Name: 2-amino-3,4-dimethyl-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid Traditional Name: 2-amino-3,4-dimethyl-5-(4-sulfophenyl)azo-besylic acid Formula: C14H15N3O6S2 MolecularWeight: 385.4154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)N)C

Isomeric SMILES

CC1=C(C(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)N)C

InChI

InChI=1S/C14H15N3O6S2/c1-8-9(2)14(15)13(25(21,22)23)7-12(8)17-16-10-3-5-11(6-4-10)24(18,19)20/h3-7H,15H2,1-2H3,(H,18,19,20)(H,21,22,23)