[(4S)-4-methyl-5-oxidanylidene-heptyl] 4-methylbenzenesulfonate

Systemtic Name: [(4S)-4-methyl-5-oxidanylidene-heptyl] 4-methylbenzenesulfonate Openeye Name: [(4S)-4-methyl-5-oxo-heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4S)-4-methyl-5-oxoheptyl] ester IUPAC Name: [(4S)-4-methyl-5-oxoheptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4S)-5-keto-4-methyl-heptyl] ester Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O4S/c1-4-15(16)13(3)6-5-11-19-20(17,18)14-9-7-12(2)8-10-14/h7-10,13H,4-6,11H2,1-3H3/t13-/m0/s1