[(3R,5R,6R)-3,5,7-trimethyl-6-oxidanyl-octyl] 4-methylbenzenesulfonate

Systemtic Name: [(3R,5R,6R)-3,5,7-trimethyl-6-oxidanyl-octyl] 4-methylbenzenesulfonate Openeye Name: [(3R,5R,6R)-6-hydroxy-3,5,7-trimethyl-octyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R,5R,6R)-6-hydroxy-3,5,7-trimethyloctyl] ester IUPAC Name: [(3R,5R,6R)-6-hydroxy-3,5,7-trimethyloctyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R,5R,6R)-6-hydroxy-3,5,7-trimethyl-octyl] ester Formula: C18H30O4S MolecularWeight: 342.4934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)CC(C)C(C(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@H](C)C[C@@H](C)[C@@H](C(C)C)O

InChI

InChI=1S/C18H30O4S/c1-13(2)18(19)16(5)12-15(4)10-11-22-23(20,21)17-8-6-14(3)7-9-17/h6-9,13,15-16,18-19H,10-12H2,1-5H3/t15-,16+,18+/m0/s1