[(E,6R)-2-oxidanylideneheptadec-3-en-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [(E,6R)-2-oxidanylideneheptadec-3-en-6-yl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-[(E)-4-oxopent-2-enyl]dodecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E,6R)-2-oxoheptadec-3-en-6-yl] ester IUPAC Name: [(E,6R)-2-oxoheptadec-3-en-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E,1R)-5-keto-1-undecyl-hex-3-enyl] ester Formula: C24H38O4S MolecularWeight: 422.62112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38O4S/c1-4-5-6-7-8-9-10-11-12-15-23(16-13-14-22(3)25)28-29(26,27)24-19-17-21(2)18-20-24/h13-14,17-20,23H,4-12,15-16H2,1-3H3/b14-13+/t23-/m1/s1