3,6,6-trimethyl-5-[(E)-3-oxidanylidenebut-1-enyl]-4-oxabicyclo[3.2.0]hept-2-en-7-one

Systemtic Name: 3,6,6-trimethyl-5-[(E)-3-oxidanylidenebut-1-enyl]-4-oxabicyclo[3.2.0]hept-2-en-7-one Openeye Name: 3,6,6-trimethyl-5-[(E)-3-oxobut-1-enyl]-4-oxabicyclo[3.2.0]hept-2-en-7-one CAS Name: 3,6,6-trimethyl-5-[(E)-3-oxobut-1-enyl]-4-oxabicyclo[3.2.0]hept-2-en-7-one IUPAC Name: 3,6,6-trimethyl-5-[(E)-3-oxobut-1-enyl]-4-oxabicyclo[3.2.0]hept-2-en-7-one Traditional Name: 5-[(E)-3-ketobut-1-enyl]-3,6,6-trimethyl-4-oxabicyclo[3.2.0]hept-2-en-7-one Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2C(=O)C(C2(O1)C=CC(=O)C)(C)C

Isomeric SMILES

CC1=CC2C(=O)C(C2(O1)/C=C/C(=O)C)(C)C

InChI

InChI=1S/C13H16O3/c1-8(14)5-6-13-10(7-9(2)16-13)11(15)12(13,3)4/h5-7,10H,1-4H3/b6-5+