(E,11S,12R)-11-methyl-10-methylsulfanyl-12-oxidanyl-octadec-9-en-5-one

Systemtic Name: (E,11S,12R)-11-methyl-10-methylsulfanyl-12-oxidanyl-octadec-9-en-5-one Openeye Name: (E,11S,12R)-12-hydroxy-11-methyl-10-methylsulfanyl-octadec-9-en-5-one CAS Name: (E,11S,12R)-12-hydroxy-11-methyl-10-(methylthio)-9-octadecen-5-one IUPAC Name: (E,11S,12R)-12-hydroxy-11-methyl-10-methylsulfanyloctadec-9-en-5-one Traditional Name: (E,11S,12R)-12-hydroxy-11-methyl-10-(methylthio)octadec-9-en-5-one Formula: C20H38O2S MolecularWeight: 342.57952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)C(=CCCCC(=O)CCCC)SC)O

Isomeric SMILES

CCCCCC[C@H]([C@H](C)/C(=C\CCCC(=O)CCCC)/SC)O

InChI

InChI=1S/C20H38O2S/c1-5-7-9-10-15-19(22)17(3)20(23-4)16-12-11-14-18(21)13-8-6-2/h16-17,19,22H,5-15H2,1-4H3/b20-16+/t17-,19+/m0/s1