methyl (E)-2-(phenylsulfonyl)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enoate

Systemtic Name: methyl (E)-2-(phenylsulfonyl)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enoate Openeye Name: methyl (E)-2-(benzenesulfonyl)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enoate CAS Name: (E)-2-(benzenesulfonyl)-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-butenoic acid methyl ester IUPAC Name: methyl (E)-2-(benzenesulfonyl)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enoate Traditional Name: (E)-2-besyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enoic acid methyl ester Formula: C20H26O4S MolecularWeight: 362.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(C(=O)OC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(C(=O)OC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H26O4S/c1-15-9-8-14-20(2,3)17(15)12-13-18(19(21)24-4)25(22,23)16-10-6-5-7-11-16/h5-7,10-13,18H,8-9,14H2,1-4H3/b13-12+