2-ethanoyl-3,3-dimethyl-2-[(E)-3-oxidanylidenebut-1-enyl]cyclopentan-1-one

Systemtic Name: 2-ethanoyl-3,3-dimethyl-2-[(E)-3-oxidanylidenebut-1-enyl]cyclopentan-1-one Openeye Name: 2-acetyl-3,3-dimethyl-2-[(E)-3-oxobut-1-enyl]cyclopentanone CAS Name: 2-acetyl-3,3-dimethyl-2-[(E)-3-oxobut-1-enyl]-1-cyclopentanone IUPAC Name: 2-acetyl-3,3-dimethyl-2-[(E)-3-oxobut-1-enyl]cyclopentan-1-one Traditional Name: 2-acetyl-2-[(E)-3-ketobut-1-enyl]-3,3-dimethyl-cyclopentanone Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1(C(=O)CCC1(C)C)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-9(14)5-8-13(10(2)15)11(16)6-7-12(13,3)4/h5,8H,6-7H2,1-4H3/b8-5+