(E)-3-[4-oxidanyl-3-[(E)-3-oxidanylidenebut-1-enyl]phenyl]prop-2-enal

Systemtic Name: (E)-3-[4-oxidanyl-3-[(E)-3-oxidanylidenebut-1-enyl]phenyl]prop-2-enal Openeye Name: (E)-3-[4-hydroxy-3-[(E)-3-oxobut-1-enyl]phenyl]prop-2-enal CAS Name: (E)-3-[4-hydroxy-3-[(E)-3-oxobut-1-enyl]phenyl]-2-propenal IUPAC Name: (E)-3-[4-hydroxy-3-[(E)-3-oxobut-1-enyl]phenyl]prop-2-enal Traditional Name: (E)-3-[4-hydroxy-3-[(E)-3-ketobut-1-enyl]phenyl]acrolein Formula: C13H12O3 MolecularWeight: 216.23258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O3/c1-10(15)4-6-12-9-11(3-2-8-14)5-7-13(12)16/h2-9,16H,1H3/b3-2+,6-4+