2-azanyl-3-methyl-5-[(2-methyl-4-sulfo-phenyl)diazenyl]benzenesulfonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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