(E)-3-[2-(3-methyl-4-oxidanylidene-pentyl)phenyl]prop-2-enal

Systemtic Name: (E)-3-[2-(3-methyl-4-oxidanylidene-pentyl)phenyl]prop-2-enal Openeye Name: (E)-3-[2-(3-methyl-4-oxo-pentyl)phenyl]prop-2-enal CAS Name: (E)-3-[2-(3-methyl-4-oxopentyl)phenyl]-2-propenal IUPAC Name: (E)-3-[2-(3-methyl-4-oxopentyl)phenyl]prop-2-enal Traditional Name: (E)-3-[2-(4-keto-3-methyl-pentyl)phenyl]acrolein Formula: C15H18O2 MolecularWeight: 230.30222

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1C=CC=O)C(=O)C

Isomeric SMILES

CC(CCC1=CC=CC=C1/C=C/C=O)C(=O)C

InChI

InChI=1S/C15H18O2/c1-12(13(2)17)9-10-15-7-4-3-6-14(15)8-5-11-16/h3-8,11-12H,9-10H2,1-2H3/b8-5+