6-azanyl-2-methyl-3-[(4-sulfophenyl)diazenyl]benzenesulfonic acid

Systemtic Name: 6-azanyl-2-methyl-3-[(4-sulfophenyl)diazenyl]benzenesulfonic acid Openeye Name: 6-amino-2-methyl-3-(4-sulfophenyl)azo-benzenesulfonic acid CAS Name: 6-amino-2-methyl-3-(4-sulfophenyl)azobenzenesulfonic acid IUPAC Name: 6-amino-2-methyl-3-[(4-sulfophenyl)diazenyl]benzenesulfonic acid Traditional Name: 6-amino-2-methyl-3-(4-sulfophenyl)azo-besylic acid Formula: C13H13N3O6S2 MolecularWeight: 371.38882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1S(=O)(=O)O)N)N=NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1S(=O)(=O)O)N)N=NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H13N3O6S2/c1-8-12(7-6-11(14)13(8)24(20,21)22)16-15-9-2-4-10(5-3-9)23(17,18)19/h2-7H,14H2,1H3,(H,17,18,19)(H,20,21,22)