2-[(4-azanyl-5-methoxy-2-methyl-phenyl)diazenyl]-5-(2-sulfoethylsulfonyl)benzenesulfonic acid

Systemtic Name: 2-[(4-azanyl-5-methoxy-2-methyl-phenyl)diazenyl]-5-(2-sulfoethylsulfonyl)benzenesulfonic acid Openeye Name: 2-(4-amino-5-methoxy-2-methyl-phenyl)azo-5-(2-sulfoethylsulfonyl)benzenesulfonic acid CAS Name: 2-(4-amino-5-methoxy-2-methylphenyl)azo-5-(2-sulfoethylsulfonyl)benzenesulfonic acid IUPAC Name: 2-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-(2-sulfoethylsulfonyl)benzenesulfonic acid Traditional Name: 2-(4-amino-5-methoxy-2-methyl-phenyl)azo-5-(2-sulfoethylsulfonyl)besylic acid Formula: C16H19N3O9S3 MolecularWeight: 493.53176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O9S3/c1-10-7-12(17)15(28-2)9-14(10)19-18-13-4-3-11(8-16(13)31(25,26)27)29(20,21)5-6-30(22,23)24/h3-4,7-9H,5-6,17H2,1-2H3,(H,22,23,24)(H,25,26,27)