2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-phenyl]diazenyl]benzoic acid

Systemtic Name: 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-phenyl]diazenyl]benzoic acid Openeye Name: 2-[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-phenyl]azobenzoic acid CAS Name: 2-[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylphenyl]azobenzoic acid IUPAC Name: 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylphenyl]diazenyl]benzoic acid Traditional Name: 2-[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-phenyl]azobenzoic acid Formula: C20H25N3O8S2 MolecularWeight: 499.5578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)N=NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)N=NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C20H25N3O8S2/c1-15-14-16(23(10-12-30-32(2,26)27)11-13-31-33(3,28)29)8-9-18(15)21-22-19-7-5-4-6-17(19)20(24)25/h4-9,14H,10-13H2,1-3H3,(H,24,25)