methyl 4-[(E)-3-oxidanylidenebut-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidenebut-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-oxobut-1-enyl]benzoate CAS Name: 4-[(E)-3-oxobut-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxobut-1-enyl]benzoate Traditional Name: 4-[(E)-3-ketobut-1-enyl]benzoic acid methyl ester Formula: C12H12O3 MolecularWeight: 204.22188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O3/c1-9(13)3-4-10-5-7-11(8-6-10)12(14)15-2/h3-8H,1-2H3/b4-3+