(4S,6R)-3,5,5-trimethyl-6-oxidanyl-4-[(3R)-3-oxidanylbutyl]cyclohex-2-en-1-one

Systemtic Name: (4S,6R)-3,5,5-trimethyl-6-oxidanyl-4-[(3R)-3-oxidanylbutyl]cyclohex-2-en-1-one Openeye Name: (4S,6R)-6-hydroxy-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethyl-cyclohex-2-en-1-one CAS Name: (4S,6R)-6-hydroxy-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: (4S,6R)-6-hydroxy-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: (4S,6R)-6-hydroxy-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethyl-cyclohex-2-en-1-one Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O3/c1-8-7-11(15)12(16)13(3,4)10(8)6-5-9(2)14/h7,9-10,12,14,16H,5-6H2,1-4H3/t9-,10+,12+/m1/s1