(E)-4-(5-chloranyl-2-methyl-phenyl)but-3-en-2-one

Systemtic Name: (E)-4-(5-chloranyl-2-methyl-phenyl)but-3-en-2-one Openeye Name: (E)-4-(5-chloro-2-methyl-phenyl)but-3-en-2-one CAS Name: (E)-4-(5-chloro-2-methylphenyl)-3-buten-2-one IUPAC Name: (E)-4-(5-chloro-2-methylphenyl)but-3-en-2-one Traditional Name: (E)-4-(5-chloro-2-methyl-phenyl)but-3-en-2-one Formula: C11H11ClO MolecularWeight: 194.65744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClO/c1-8-3-6-11(12)7-10(8)5-4-9(2)13/h3-7H,1-2H3/b5-4+