[(3R)-3-methylpentyl] 4-methylbenzenesulfonate

Systemtic Name: [(3R)-3-methylpentyl] 4-methylbenzenesulfonate Openeye Name: [(3R)-3-methylpentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R)-3-methylpentyl] ester IUPAC Name: [(3R)-3-methylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R)-3-methylpentyl] ester Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CC[C@@H](C)CCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C13H20O3S/c1-4-11(2)9-10-16-17(14,15)13-7-5-12(3)6-8-13/h5-8,11H,4,9-10H2,1-3H3/t11-/m1/s1