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

Systemtic Name: (4S)-3-(hydroxymethyl)-5,5-dimethyl-4-oxidanyl-4-[(E,3S)-3-oxidanylbut-1-enyl]cyclohex-2-en-1-one Openeye Name: (4S)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3-(hydroxymethyl)-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: (4S)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3-(hydroxymethyl)-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: (4S)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3-(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-one Traditional Name: (4S)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-5,5-dimethyl-3-methylol-cyclohex-2-en-1-one Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4/c1-9(15)4-5-13(17)10(8-14)6-11(16)7-12(13,2)3/h4-6,9,14-15,17H,7-8H2,1-3H3/b5-4+/t9-,13+/m0/s1