2-(4-methylphenyl)sulfonyl-8-phenyl-octanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-8-phenyl-octanoic acid Openeye Name: 8-phenyl-2-(p-tolylsulfonyl)octanoic acid CAS Name: 2-(4-methylphenyl)sulfonyl-8-phenyloctanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-8-phenyloctanoic acid Traditional Name: 8-phenyl-2-tosyl-caprylic acid Formula: C21H26O4S MolecularWeight: 374.49374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H26O4S/c1-17-13-15-19(16-14-17)26(24,25)20(21(22)23)12-8-3-2-5-9-18-10-6-4-7-11-18/h4,6-7,10-11,13-16,20H,2-3,5,8-9,12H2,1H3,(H,22,23)