3-azanyl-2,5-dimethoxy-6-[(4-sulfophenyl)diazenyl]benzenesulfonic acid

Systemtic Name: 3-azanyl-2,5-dimethoxy-6-[(4-sulfophenyl)diazenyl]benzenesulfonic acid Openeye Name: 3-amino-2,5-dimethoxy-6-(4-sulfophenyl)azo-benzenesulfonic acid CAS Name: 3-amino-2,5-dimethoxy-6-(4-sulfophenyl)azobenzenesulfonic acid IUPAC Name: 3-amino-2,5-dimethoxy-6-[(4-sulfophenyl)diazenyl]benzenesulfonic acid Traditional Name: 3-amino-2,5-dimethoxy-6-(4-sulfophenyl)azo-besylic acid Formula: C14H15N3O8S2 MolecularWeight: 417.4142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)N)OC)S(=O)(=O)O)N=NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

COC1=C(C(=C(C(=C1)N)OC)S(=O)(=O)O)N=NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C14H15N3O8S2/c1-24-11-7-10(15)13(25-2)14(27(21,22)23)12(11)17-16-8-3-5-9(6-4-8)26(18,19)20/h3-7H,15H2,1-2H3,(H,18,19,20)(H,21,22,23)