[(2S)-octan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-octan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-methylheptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-octan-2-yl] ester IUPAC Name: [(2S)-octan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-methylheptyl] ester Formula: C15H24O3S MolecularWeight: 284.41426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24O3S/c1-4-5-6-7-8-14(3)18-19(16,17)15-11-9-13(2)10-12-15/h9-12,14H,4-8H2,1-3H3/t14-/m0/s1