[(E,2S)-10-methyl-2-oxidanyl-8-oxidanylidene-undec-3-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E,2S)-10-methyl-2-oxidanyl-8-oxidanylidene-undec-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(E,2S)-2-hydroxy-10-methyl-8-oxo-undec-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E,2S)-2-hydroxy-10-methyl-8-oxoundec-3-enyl] ester IUPAC Name: [(E,2S)-2-hydroxy-10-methyl-8-oxoundec-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E,2S)-2-hydroxy-8-keto-10-methyl-undec-3-enyl] ester Formula: C19H28O5S MolecularWeight: 368.48762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C=CCCCC(=O)CC(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](/C=C/CCCC(=O)CC(C)C)O

InChI

InChI=1S/C19H28O5S/c1-15(2)13-17(20)7-5-4-6-8-18(21)14-24-25(22,23)19-11-9-16(3)10-12-19/h6,8-12,15,18,21H,4-5,7,13-14H2,1-3H3/b8-6+/t18-/m0/s1