dimethyl (3S,5S)-4-methylidene-3-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-cyclohexane-1,1-dicarboxylate

Systemtic Name: dimethyl (3S,5S)-4-methylidene-3-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-cyclohexane-1,1-dicarboxylate Openeye Name: dimethyl (3S,5S)-3-isopropenyl-4-methylene-5-(p-tolylsulfonyl)cyclohexane-1,1-dicarboxylate CAS Name: (3S,5S)-4-methylene-3-(1-methylethenyl)-5-(4-methylphenyl)sulfonylcyclohexane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3S,5S)-4-methylidene-3-(4-methylphenyl)sulfonyl-5-prop-1-en-2-ylcyclohexane-1,1-dicarboxylate Traditional Name: (3S,5S)-3-isopropenyl-4-methylene-5-tosyl-cyclohexane-1,1-dicarboxylic acid dimethyl ester Formula: C21H26O6S MolecularWeight: 406.49254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CC(CC(C2=C)C(=C)C)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H]2CC(C[C@H](C2=C)C(=C)C)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H26O6S/c1-13(2)17-11-21(19(22)26-5,20(23)27-6)12-18(15(17)4)28(24,25)16-9-7-14(3)8-10-16/h7-10,17-18H,1,4,11-12H2,2-3,5-6H3/t17-,18-/m0/s1