3-[(E)-but-1-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-[(E)-but-1-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one Openeye Name: 3-[(E)-but-1-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one CAS Name: 3-[(E)-but-1-enyl]-2,4,4-trimethyl-1-cyclohex-2-enone IUPAC Name: 3-[(E)-but-1-enyl]-2,4,4-trimethylcyclohex-2-en-1-one Traditional Name: 3-[(E)-but-1-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one Formula: C13H20O MolecularWeight: 192.2973

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=C(C(=O)CCC1(C)C)C

Isomeric SMILES

CC/C=C/C1=C(C(=O)CCC1(C)C)C

InChI

InChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h6-7H,5,8-9H2,1-4H3/b7-6+