(5S)-2,4,4-trimethyl-5-oxidanyl-3-[(3R)-3-oxidanylbutyl]cyclohex-2-en-1-one

Systemtic Name: (5S)-2,4,4-trimethyl-5-oxidanyl-3-[(3R)-3-oxidanylbutyl]cyclohex-2-en-1-one Openeye Name: (5S)-5-hydroxy-3-[(3R)-3-hydroxybutyl]-2,4,4-trimethyl-cyclohex-2-en-1-one CAS Name: (5S)-5-hydroxy-3-[(3R)-3-hydroxybutyl]-2,4,4-trimethyl-1-cyclohex-2-enone IUPAC Name: (5S)-5-hydroxy-3-[(3R)-3-hydroxybutyl]-2,4,4-trimethylcyclohex-2-en-1-one Traditional Name: (5S)-5-hydroxy-3-[(3R)-3-hydroxybutyl]-2,4,4-trimethyl-cyclohex-2-en-1-one Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CC1=O)O)(C)C)CCC(C)O

Isomeric SMILES

CC1=C(C([C@H](CC1=O)O)(C)C)CC[C@@H](C)O

InChI

InChI=1S/C13H22O3/c1-8(14)5-6-10-9(2)11(15)7-12(16)13(10,3)4/h8,12,14,16H,5-7H2,1-4H3/t8-,12+/m1/s1