4-[(E)-but-2-enoyl]-3,3,5-trimethyl-cyclohexan-1-one

Systemtic Name: 4-[(E)-but-2-enoyl]-3,3,5-trimethyl-cyclohexan-1-one Openeye Name: 4-[(E)-but-2-enoyl]-3,3,5-trimethyl-cyclohexanone CAS Name: 3,3,5-trimethyl-4-[(E)-1-oxobut-2-enyl]-1-cyclohexanone IUPAC Name: 4-[(E)-but-2-enoyl]-3,3,5-trimethylcyclohexan-1-one Traditional Name: 4-[(E)-but-2-enoyl]-3,3,5-trimethyl-cyclohexanone Formula: C13H20O2 MolecularWeight: 208.2967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,9,12H,7-8H2,1-4H3/b6-5+