(2S,3R,4R,5S)-2,4-diethanoyl-5-methyl-5-oxidanyl-3-[(E)-2-phenylethenyl]cyclohexan-1-one

Systemtic Name: (2S,3R,4R,5S)-2,4-diethanoyl-5-methyl-5-oxidanyl-3-[(E)-2-phenylethenyl]cyclohexan-1-one Openeye Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-[(E)-styryl]cyclohexanone CAS Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-[(E)-2-phenylethenyl]-1-cyclohexanone IUPAC Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-[(E)-2-phenylethenyl]cyclohexan-1-one Traditional Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-[(E)-styryl]cyclohexanone Formula: C19H22O4 MolecularWeight: 314.37558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(C(CC1=O)(C)O)C(=O)C)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H22O4/c1-12(20)17-15(10-9-14-7-5-4-6-8-14)18(13(2)21)19(3,23)11-16(17)22/h4-10,15,17-18,23H,11H2,1-3H3/b10-9+/t15-,17+,18+,19-/m0/s1