[(3S,5R)-2,3-dimethyl-2-oxidanyl-nonan-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3S,5R)-2,3-dimethyl-2-oxidanyl-nonan-5-yl] 4-methylbenzenesulfonate Openeye Name: [(1R,3S)-1-butyl-4-hydroxy-3,4-dimethyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S,5R)-2-hydroxy-2,3-dimethylnonan-5-yl] ester IUPAC Name: [(3S,5R)-2-hydroxy-2,3-dimethylnonan-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,3S)-1-butyl-4-hydroxy-3,4-dimethyl-pentyl] ester Formula: C18H30O4S MolecularWeight: 342.4934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C)C(C)(C)O)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCC[C@H](C[C@H](C)C(C)(C)O)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C18H30O4S/c1-6-7-8-16(13-15(3)18(4,5)19)22-23(20,21)17-11-9-14(2)10-12-17/h9-12,15-16,19H,6-8,13H2,1-5H3/t15-,16+/m0/s1