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

Systemtic Name: (Z)-3-(bromomethyl)-4-(4-methylphenyl)but-3-en-2-one Openeye Name: (Z)-3-(bromomethyl)-4-(p-tolyl)but-3-en-2-one CAS Name: (Z)-3-(bromomethyl)-4-(4-methylphenyl)-3-buten-2-one IUPAC Name: (Z)-3-(bromomethyl)-4-(4-methylphenyl)but-3-en-2-one Traditional Name: (Z)-3-(bromomethyl)-4-(p-tolyl)but-3-en-2-one Formula: C12H13BrO MolecularWeight: 253.13502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrO/c1-9-3-5-11(6-4-9)7-12(8-13)10(2)14/h3-7H,8H2,1-2H3/b12-7+