[(1S,2S,3R)-3-(oxan-2-yloxy)-2-pentyl-cyclopentyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(1S,2S,3R)-3-(oxan-2-yloxy)-2-pentyl-cyclopentyl]methyl 4-methylbenzenesulfonate Openeye Name: [(1S,2S,3R)-2-pentyl-3-tetrahydropyran-2-yloxy-cyclopentyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2S,3R)-3-(2-oxanyloxy)-2-pentylcyclopentyl]methyl ester IUPAC Name: [(1S,2S,3R)-3-(oxan-2-yloxy)-2-pentylcyclopentyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S,3R)-2-amyl-3-tetrahydropyran-2-yloxy-cyclopentyl]methyl ester Formula: C23H36O5S MolecularWeight: 424.59394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(CCC1OC2CCCCO2)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC[C@H]1[C@H](CC[C@H]1OC2CCCCO2)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H36O5S/c1-3-4-5-8-21-19(12-15-22(21)28-23-9-6-7-16-26-23)17-27-29(24,25)20-13-10-18(2)11-14-20/h10-11,13-14,19,21-23H,3-9,12,15-17H2,1-2H3/t19-,21+,22-,23?/m1/s1