3-(4-methylphenyl)sulfonyloxy-5-(phenylcarbonyloxy)cyclohexane-1-carboxylic acid

Systemtic Name: 3-(4-methylphenyl)sulfonyloxy-5-(phenylcarbonyloxy)cyclohexane-1-carboxylic acid Openeye Name: 3-benzoyloxy-5-(p-tolylsulfonyloxy)cyclohexanecarboxylic acid CAS Name: 3-benzoyloxy-5-(4-methylphenyl)sulfonyloxy-1-cyclohexanecarboxylic acid IUPAC Name: 3-benzoyloxy-5-(4-methylphenyl)sulfonyloxycyclohexane-1-carboxylic acid Traditional Name: 3-benzoyloxy-5-tosyloxy-cyclohexanecarboxylic acid Formula: C21H22O7S MolecularWeight: 418.46018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(CC(C2)OC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(CC(C2)OC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22O7S/c1-14-7-9-19(10-8-14)29(25,26)28-18-12-16(20(22)23)11-17(13-18)27-21(24)15-5-3-2-4-6-15/h2-10,16-18H,11-13H2,1H3,(H,22,23)