[(E,3S)-3-(4-methoxyphenyl)-2-methyl-hex-4-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E,3S)-3-(4-methoxyphenyl)-2-methyl-hex-4-enyl] 4-methylbenzenesulfonate Openeye Name: [(E,3S)-3-(4-methoxyphenyl)-2-methyl-hex-4-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E,3S)-3-(4-methoxyphenyl)-2-methylhex-4-enyl] ester IUPAC Name: [(E,3S)-3-(4-methoxyphenyl)-2-methylhex-4-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E,3S)-3-(4-methoxyphenyl)-2-methyl-hex-4-enyl] ester Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/[C@H](C1=CC=C(C=C1)OC)C(C)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H26O4S/c1-5-6-21(18-9-11-19(24-4)12-10-18)17(3)15-25-26(22,23)20-13-7-16(2)8-14-20/h5-14,17,21H,15H2,1-4H3/b6-5+/t17?,21-/m0/s1