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

Systemtic Name: (4S)-3,5,5-trimethyl-4-oxidanyl-4-[(E)-3-oxidanylbut-1-enyl]cyclohex-2-en-1-one Openeye Name: (4S)-4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one CAS Name: (4S)-4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: (4S)-4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: (4S)-4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C

Isomeric SMILES

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

InChI

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