2-[2-(oxan-2-yloxy)-1-(phenylmethoxymethyl)cyclopentyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-(oxan-2-yloxy)-1-(phenylmethoxymethyl)cyclopentyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[1-(benzyloxymethyl)-2-tetrahydropyran-2-yloxy-cyclopentyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-(2-oxanyloxy)-1-(phenylmethoxymethyl)cyclopentyl]ethyl ester IUPAC Name: 2-[2-(oxan-2-yloxy)-1-(phenylmethoxymethyl)cyclopentyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[1-(benzoxymethyl)-2-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)OCCC2(CCCC2OC3CCCCO3)COCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2(CCCC2OC3CCCCO3)COCC4=CC=CC=C4

InChI

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