(E)-3-[2-[(E)-3-oxidanylideneprop-1-enyl]phenyl]prop-2-enal

Systemtic Name: (E)-3-[2-[(E)-3-oxidanylideneprop-1-enyl]phenyl]prop-2-enal Openeye Name: (E)-3-[2-[(E)-3-oxoprop-1-enyl]phenyl]prop-2-enal CAS Name: (E)-3-[2-[(E)-3-oxoprop-1-enyl]phenyl]-2-propenal IUPAC Name: (E)-3-[2-[(E)-3-oxoprop-1-enyl]phenyl]prop-2-enal Traditional Name: (E)-3-[2-[(E)-3-ketoprop-1-enyl]phenyl]acrolein Formula: C12H10O2 MolecularWeight: 186.2066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10O2/c13-9-3-7-11-5-1-2-6-12(11)8-4-10-14/h1-10H/b7-3+,8-4+