[(1R,3S,5R)-3-(2-methoxyethyl)-2,2,5-trimethyl-5-oxidanyl-cyclopentyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,3S,5R)-3-(2-methoxyethyl)-2,2,5-trimethyl-5-oxidanyl-cyclopentyl] 4-methylbenzenesulfonate Openeye Name: [(1R,3S,5R)-5-hydroxy-3-(2-methoxyethyl)-2,2,5-trimethyl-cyclopentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,3S,5R)-5-hydroxy-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentyl] ester IUPAC Name: [(1R,3S,5R)-5-hydroxy-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,3S,5R)-5-hydroxy-3-(2-methoxyethyl)-2,2,5-trimethyl-cyclopentyl] ester Formula: C18H28O5S MolecularWeight: 356.47692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(CC2(C)O)CCOC)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2[C@](C[C@@H](C2(C)C)CCOC)(C)O

InChI

InChI=1S/C18H28O5S/c1-13-6-8-15(9-7-13)24(20,21)23-16-17(2,3)14(10-11-22-5)12-18(16,4)19/h6-9,14,16,19H,10-12H2,1-5H3/t14-,16+,18+/m0/s1