(E)-3-chloranyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-chloranyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-one Openeye Name: (E)-3-chloro-1-(2,4,6-trimethylphenyl)prop-2-en-1-one CAS Name: (E)-3-chloro-1-(2,4,6-trimethylphenyl)-2-propen-1-one IUPAC Name: (E)-3-chloro-1-(2,4,6-trimethylphenyl)prop-2-en-1-one Traditional Name: (E)-3-chloro-1-mesityl-prop-2-en-1-one Formula: C12H13ClO MolecularWeight: 208.68402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO/c1-8-6-9(2)12(10(3)7-8)11(14)4-5-13/h4-7H,1-3H3/b5-4+