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

Systemtic Name: (4S,5R)-5-(hydroxymethyl)-3,5-dimethyl-4-[(3S)-3-oxidanylbutyl]cyclohex-2-en-1-one Openeye Name: (4S,5R)-4-[(3S)-3-hydroxybutyl]-5-(hydroxymethyl)-3,5-dimethyl-cyclohex-2-en-1-one CAS Name: (4S,5R)-4-[(3S)-3-hydroxybutyl]-5-(hydroxymethyl)-3,5-dimethyl-1-cyclohex-2-enone IUPAC Name: (4S,5R)-4-[(3S)-3-hydroxybutyl]-5-(hydroxymethyl)-3,5-dimethylcyclohex-2-en-1-one Traditional Name: (4S,5R)-4-[(3S)-3-hydroxybutyl]-3,5-dimethyl-5-methylol-cyclohex-2-en-1-one Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1CCC(C)O)(C)CO

Isomeric SMILES

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

InChI

InChI=1S/C13H22O3/c1-9-6-11(16)7-13(3,8-14)12(9)5-4-10(2)15/h6,10,12,14-15H,4-5,7-8H2,1-3H3/t10-,12-,13-/m0/s1