[(E)-3-(3,4-dimethoxyphenyl)-3-propan-2-yl-hex-4-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-3-(3,4-dimethoxyphenyl)-3-propan-2-yl-hex-4-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-3-(3,4-dimethoxyphenyl)-3-isopropyl-hex-4-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-3-(3,4-dimethoxyphenyl)-3-propan-2-ylhex-4-enyl] ester IUPAC Name: [(E)-3-(3,4-dimethoxyphenyl)-3-propan-2-ylhex-4-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-3-(3,4-dimethoxyphenyl)-3-isopropyl-hex-4-enyl] ester Formula: C24H32O5S MolecularWeight: 432.57288

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(CCOS(=O)(=O)C1=CC=C(C=C1)C)(C2=CC(=C(C=C2)OC)OC)C(C)C

Isomeric SMILES

C/C=C/C(CCOS(=O)(=O)C1=CC=C(C=C1)C)(C2=CC(=C(C=C2)OC)OC)C(C)C

InChI

InChI=1S/C24H32O5S/c1-7-14-24(18(2)3,20-10-13-22(27-5)23(17-20)28-6)15-16-29-30(25,26)21-11-8-19(4)9-12-21/h7-14,17-18H,15-16H2,1-6H3/b14-7+