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

Systemtic Name: 8-cyclohexyl-2-(4-methylphenyl)sulfonyl-octanoic acid Openeye Name: 8-cyclohexyl-2-(p-tolylsulfonyl)octanoic acid CAS Name: 8-cyclohexyl-2-(4-methylphenyl)sulfonyloctanoic acid IUPAC Name: 8-cyclohexyl-2-(4-methylphenyl)sulfonyloctanoic acid Traditional Name: 8-cyclohexyl-2-tosyl-caprylic acid Formula: C21H32O4S MolecularWeight: 380.54138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2CCCCC2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2CCCCC2)C(=O)O

InChI

InChI=1S/C21H32O4S/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/h13-16,18,20H,2-12H2,1H3,(H,22,23)