[(E,2R)-5-methyl-2-(oxan-2-yloxymethyl)hex-3-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E,2R)-5-methyl-2-(oxan-2-yloxymethyl)hex-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(E,2R)-5-methyl-2-(tetrahydropyran-2-yloxymethyl)hex-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E,2R)-5-methyl-2-(2-oxanyloxymethyl)hex-3-enyl] ester IUPAC Name: [(E,2R)-5-methyl-2-(oxan-2-yloxymethyl)hex-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E,2R)-5-methyl-2-(tetrahydropyran-2-yloxymethyl)hex-3-enyl] ester Formula: C20H30O5S MolecularWeight: 382.5142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC2CCCCO2)C=CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](COC2CCCCO2)/C=C/C(C)C

InChI

InChI=1S/C20H30O5S/c1-16(2)7-10-18(14-24-20-6-4-5-13-23-20)15-25-26(21,22)19-11-8-17(3)9-12-19/h7-12,16,18,20H,4-6,13-15H2,1-3H3/b10-7+/t18-,20?/m1/s1