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

Systemtic Name: 2-[3-(oxan-2-yloxy)-2-(phenylmethoxymethyl)cyclopentyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-(benzyloxymethyl)-3-tetrahydropyran-2-yloxy-cyclopentyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[3-(2-oxanyloxy)-2-(phenylmethoxymethyl)cyclopentyl]ethyl ester IUPAC Name: 2-[3-(oxan-2-yloxy)-2-(phenylmethoxymethyl)cyclopentyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-(benzoxymethyl)-3-tetrahydropyran-2-yloxy-cyclopentyl]ethyl ester Formula: C27H36O6S MolecularWeight: 488.63614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCC(C2COCC3=CC=CC=C3)OC4CCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCC(C2COCC3=CC=CC=C3)OC4CCCCO4

InChI

InChI=1S/C27H36O6S/c1-21-10-13-24(14-11-21)34(28,29)32-18-16-23-12-15-26(33-27-9-5-6-17-31-27)25(23)20-30-19-22-7-3-2-4-8-22/h2-4,7-8,10-11,13-14,23,25-27H,5-6,9,12,15-20H2,1H3