(E)-1-(4-chlorophenyl)-2,4,4-trimethyl-pent-1-en-3-one

Systemtic Name: (E)-1-(4-chlorophenyl)-2,4,4-trimethyl-pent-1-en-3-one Openeye Name: (E)-1-(4-chlorophenyl)-2,4,4-trimethyl-pent-1-en-3-one CAS Name: (E)-1-(4-chlorophenyl)-2,4,4-trimethyl-1-penten-3-one IUPAC Name: (E)-1-(4-chlorophenyl)-2,4,4-trimethylpent-1-en-3-one Traditional Name: (E)-1-(4-chlorophenyl)-2,4,4-trimethyl-pent-1-en-3-one Formula: C14H17ClO MolecularWeight: 236.73718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)Cl)C(=O)C(C)(C)C

Isomeric SMILES

C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)C(C)(C)C

InChI

InChI=1S/C14H17ClO/c1-10(13(16)14(2,3)4)9-11-5-7-12(15)8-6-11/h5-9H,1-4H3/b10-9+