(2R,3S,4R,5R)-2,4-diethanoyl-5-methyl-3-(4-methylsulfanylphenyl)-5-oxidanyl-cyclohexan-1-one

Systemtic Name: (2R,3S,4R,5R)-2,4-diethanoyl-5-methyl-3-(4-methylsulfanylphenyl)-5-oxidanyl-cyclohexan-1-one Openeye Name: (2R,3S,4R,5R)-2,4-diacetyl-5-hydroxy-5-methyl-3-(4-methylsulfanylphenyl)cyclohexanone CAS Name: (2R,3S,4R,5R)-2,4-diacetyl-5-hydroxy-5-methyl-3-[4-(methylthio)phenyl]-1-cyclohexanone IUPAC Name: (2R,3S,4R,5R)-2,4-diacetyl-5-hydroxy-5-methyl-3-(4-methylsulfanylphenyl)cyclohexan-1-one Traditional Name: (2R,3S,4R,5R)-2,4-diacetyl-5-hydroxy-5-methyl-3-[4-(methylthio)phenyl]cyclohexanone Formula: C18H22O4S MolecularWeight: 334.42988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(C(CC1=O)(C)O)C(=O)C)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(=O)[C@H]1[C@H]([C@H]([C@](CC1=O)(C)O)C(=O)C)C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H22O4S/c1-10(19)15-14(21)9-18(3,22)17(11(2)20)16(15)12-5-7-13(23-4)8-6-12/h5-8,15-17,22H,9H2,1-4H3/t15-,16-,17-,18-/m1/s1