[4-(oxan-2-yloxy)-3-(phenylmethoxymethyl)-2-prop-2-enyl-cyclopentyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(oxan-2-yloxy)-3-(phenylmethoxymethyl)-2-prop-2-enyl-cyclopentyl] 4-methylbenzenesulfonate Openeye Name: [2-allyl-3-(benzyloxymethyl)-4-tetrahydropyran-2-yloxy-cyclopentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2-oxanyloxy)-3-(phenylmethoxymethyl)-2-prop-2-enylcyclopentyl] ester IUPAC Name: [4-(oxan-2-yloxy)-3-(phenylmethoxymethyl)-2-prop-2-enylcyclopentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-allyl-3-(benzoxymethyl)-4-tetrahydropyran-2-yloxy-cyclopentyl] ester Formula: C28H36O6S MolecularWeight: 500.64684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(C(C2CC=C)COCC3=CC=CC=C3)OC4CCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(C(C2CC=C)COCC3=CC=CC=C3)OC4CCCCO4

InChI

InChI=1S/C28H36O6S/c1-3-9-24-25(20-31-19-22-10-5-4-6-11-22)26(33-28-12-7-8-17-32-28)18-27(24)34-35(29,30)23-15-13-21(2)14-16-23/h3-6,10-11,13-16,24-28H,1,7-9,12,17-20H2,2H3