(Z)-3-(chloromethyl)-4-(2-methylphenyl)but-3-en-2-one

Systemtic Name: (Z)-3-(chloromethyl)-4-(2-methylphenyl)but-3-en-2-one Openeye Name: (Z)-3-(chloromethyl)-4-(o-tolyl)but-3-en-2-one CAS Name: (Z)-3-(chloromethyl)-4-(2-methylphenyl)-3-buten-2-one IUPAC Name: (Z)-3-(chloromethyl)-4-(2-methylphenyl)but-3-en-2-one Traditional Name: (Z)-3-(chloromethyl)-4-(o-tolyl)but-3-en-2-one Formula: C12H13ClO MolecularWeight: 208.68402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO/c1-9-5-3-4-6-11(9)7-12(8-13)10(2)14/h3-7H,8H2,1-2H3/b12-7+