[(2S,3R)-2,6-dimethyl-3-oxidanyl-hept-5-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R)-2,6-dimethyl-3-oxidanyl-hept-5-enyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3R)-3-hydroxy-2,6-dimethyl-hept-5-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R)-3-hydroxy-2,6-dimethylhept-5-enyl] ester IUPAC Name: [(2S,3R)-3-hydroxy-2,6-dimethylhept-5-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R)-3-hydroxy-2,6-dimethyl-hept-5-enyl] ester Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O4S/c1-12(2)5-10-16(17)14(4)11-20-21(18,19)15-8-6-13(3)7-9-15/h5-9,14,16-17H,10-11H2,1-4H3/t14-,16+/m0/s1