(6S)-2,4,4-trimethyl-6-oxidanyl-3-[(E,3S)-3-oxidanylbut-1-enyl]cyclohex-2-en-1-one

Systemtic Name: (6S)-2,4,4-trimethyl-6-oxidanyl-3-[(E,3S)-3-oxidanylbut-1-enyl]cyclohex-2-en-1-one Openeye Name: (6S)-6-hydroxy-3-[(E,3S)-3-hydroxybut-1-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one CAS Name: (6S)-6-hydroxy-3-[(E,3S)-3-hydroxybut-1-enyl]-2,4,4-trimethyl-1-cyclohex-2-enone IUPAC Name: (6S)-6-hydroxy-3-[(E,3S)-3-hydroxybut-1-enyl]-2,4,4-trimethylcyclohex-2-en-1-one Traditional Name: (6S)-6-hydroxy-3-[(E,3S)-3-hydroxybut-1-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(C[C@@H](C1=O)O)(C)C)/C=C/[C@H](C)O

InChI

InChI=1S/C13H20O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h5-6,8,11,14-15H,7H2,1-4H3/b6-5+/t8-,11-/m0/s1