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

Systemtic Name: 5-(hydroxymethyl)-3,5-dimethyl-4-[(E)-3-oxidanylbut-1-enyl]cyclohex-2-en-1-one Openeye Name: 4-[(E)-3-hydroxybut-1-enyl]-5-(hydroxymethyl)-3,5-dimethyl-cyclohex-2-en-1-one CAS Name: 4-[(E)-3-hydroxybut-1-enyl]-5-(hydroxymethyl)-3,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 4-[(E)-3-hydroxybut-1-enyl]-5-(hydroxymethyl)-3,5-dimethylcyclohex-2-en-1-one Traditional Name: 4-[(E)-3-hydroxybut-1-enyl]-3,5-dimethyl-5-methylol-cyclohex-2-en-1-one Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1C=CC(C)O)(C)CO

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3/c1-9-6-11(16)7-13(3,8-14)12(9)5-4-10(2)15/h4-6,10,12,14-15H,7-8H2,1-3H3/b5-4+