(2S,3R)-2,4,4-trimethyl-2-oxidanyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclohexan-1-one

Systemtic Name: (2S,3R)-2,4,4-trimethyl-2-oxidanyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclohexan-1-one Openeye Name: (2S,3R)-2-hydroxy-2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohexanone CAS Name: (2S,3R)-2-hydroxy-2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]-1-cyclohexanone IUPAC Name: (2S,3R)-2-hydroxy-2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohexan-1-one Traditional Name: (2S,3R)-2-hydroxy-3-[(E)-3-ketobut-1-enyl]-2,4,4-trimethyl-cyclohexanone Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1C(CCC(=O)C1(C)O)(C)C

Isomeric SMILES

CC(=O)/C=C/[C@H]1[C@](C(=O)CCC1(C)C)(C)O

InChI

InChI=1S/C13H20O3/c1-9(14)5-6-10-12(2,3)8-7-11(15)13(10,4)16/h5-6,10,16H,7-8H2,1-4H3/b6-5+/t10-,13+/m1/s1