[(3S,5S)-2,5,6-trimethyl-6-oxidanyl-heptan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3S,5S)-2,5,6-trimethyl-6-oxidanyl-heptan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1S,3S)-4-hydroxy-1-isopropyl-3,4-dimethyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S,5S)-6-hydroxy-2,5,6-trimethylheptan-3-yl] ester IUPAC Name: [(3S,5S)-6-hydroxy-2,5,6-trimethylheptan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,3S)-4-hydroxy-1-isopropyl-3,4-dimethyl-pentyl] ester Formula: C17H28O4S MolecularWeight: 328.46682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28O4S/c1-12(2)16(11-14(4)17(5,6)18)21-22(19,20)15-9-7-13(3)8-10-15/h7-10,12,14,16,18H,11H2,1-6H3/t14-,16-/m0/s1