(E,9R,10R)-6,10-dimethyl-10-(4-methylphenyl)sulfanyl-9-oxidanyl-dodec-5-en-2-one

Systemtic Name: (E,9R,10R)-6,10-dimethyl-10-(4-methylphenyl)sulfanyl-9-oxidanyl-dodec-5-en-2-one Openeye Name: (E,9R,10R)-9-hydroxy-6,10-dimethyl-10-(p-tolylsulfanyl)dodec-5-en-2-one CAS Name: (E,9R,10R)-9-hydroxy-6,10-dimethyl-10-[(4-methylphenyl)thio]-5-dodecen-2-one IUPAC Name: (E,9R,10R)-9-hydroxy-6,10-dimethyl-10-(4-methylphenyl)sulfanyldodec-5-en-2-one Traditional Name: (E,9R,10R)-9-hydroxy-6,10-dimethyl-10-(p-tolylthio)dodec-5-en-2-one Formula: C21H32O2S MolecularWeight: 348.54258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(CCC(=CCCC(=O)C)C)O)SC1=CC=C(C=C1)C

Isomeric SMILES

CC[C@](C)([C@@H](CC/C(=C/CCC(=O)C)/C)O)SC1=CC=C(C=C1)C

InChI

InChI=1S/C21H32O2S/c1-6-21(5,24-19-13-10-17(3)11-14-19)20(23)15-12-16(2)8-7-9-18(4)22/h8,10-11,13-14,20,23H,6-7,9,12,15H2,1-5H3/b16-8+/t20-,21-/m1/s1