[(E)-9-(oxan-2-yloxy)non-3-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-9-(oxan-2-yloxy)non-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-9-tetrahydropyran-2-yloxynon-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-9-(2-oxanyloxy)non-3-enyl] ester IUPAC Name: [(E)-9-(oxan-2-yloxy)non-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-9-tetrahydropyran-2-yloxynon-3-enyl] ester Formula: C21H32O5S MolecularWeight: 396.54078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC=CCCCCCOC2CCCCO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC/C=C/CCCCCOC2CCCCO2

InChI

InChI=1S/C21H32O5S/c1-19-12-14-20(15-13-19)27(22,23)26-18-9-6-4-2-3-5-8-16-24-21-11-7-10-17-25-21/h4,6,12-15,21H,2-3,5,7-11,16-18H2,1H3/b6-4+