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

Systemtic Name: (4S)-3,5,5-trimethyl-4-oxidanyl-4-[(3S)-3-oxidanylbutyl]cyclohex-2-en-1-one Openeye Name: (4S)-4-hydroxy-4-[(3S)-3-hydroxybutyl]-3,5,5-trimethyl-cyclohex-2-en-1-one CAS Name: (4S)-4-hydroxy-4-[(3S)-3-hydroxybutyl]-3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: (4S)-4-hydroxy-4-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: (4S)-4-hydroxy-4-[(3S)-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)CC(C1(CCC(C)O)O)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10,14,16H,5-6,8H2,1-4H3/t10-,13+/m0/s1