[(4S)-decan-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [(4S)-decan-4-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-propylheptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4S)-decan-4-yl] ester IUPAC Name: [(4S)-decan-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-propylheptyl] ester Formula: C17H28O3S MolecularWeight: 312.46742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28O3S/c1-4-6-7-8-10-16(9-5-2)20-21(18,19)17-13-11-15(3)12-14-17/h11-14,16H,4-10H2,1-3H3/t16-/m0/s1