(2E)-2-[(4-chlorophenyl)methylidene]-4,4-dimethyl-pentanal

Systemtic Name: (2E)-2-[(4-chlorophenyl)methylidene]-4,4-dimethyl-pentanal Openeye Name: (2E)-2-[(4-chlorophenyl)methylene]-4,4-dimethyl-pentanal CAS Name: (2E)-2-[(4-chlorophenyl)methylidene]-4,4-dimethylpentanal IUPAC Name: (2E)-2-[(4-chlorophenyl)methylidene]-4,4-dimethylpentanal Traditional Name: (E)-3-(4-chlorophenyl)-2-neopentyl-acrolein Formula: C14H17ClO MolecularWeight: 236.73718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClO/c1-14(2,3)9-12(10-16)8-11-4-6-13(15)7-5-11/h4-8,10H,9H2,1-3H3/b12-8+