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

Systemtic Name: (E,11S,12S)-11-methyl-10-methylsulfanyl-12-oxidanyl-12-phenyl-dodec-9-en-5-one Openeye Name: (E,11S,12S)-12-hydroxy-11-methyl-10-methylsulfanyl-12-phenyl-dodec-9-en-5-one CAS Name: (E,11S,12S)-12-hydroxy-11-methyl-10-(methylthio)-12-phenyl-9-dodecen-5-one IUPAC Name: (E,11S,12S)-12-hydroxy-11-methyl-10-methylsulfanyl-12-phenyldodec-9-en-5-one Traditional Name: (E,11S,12S)-12-hydroxy-11-methyl-10-(methylthio)-12-phenyl-dodec-9-en-5-one Formula: C20H30O2S MolecularWeight: 334.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CCCC=C(C(C)C(C1=CC=CC=C1)O)SC

Isomeric SMILES

CCCCC(=O)CCC/C=C(\[C@@H](C)[C@@H](C1=CC=CC=C1)O)/SC

InChI

InChI=1S/C20H30O2S/c1-4-5-13-18(21)14-9-10-15-19(23-3)16(2)20(22)17-11-7-6-8-12-17/h6-8,11-12,15-16,20,22H,4-5,9-10,13-14H2,1-3H3/b19-15+/t16-,20+/m1/s1