methyl 3-methoxy-4-(2-oxidanylidenepropyl)benzoate

Systemtic Name: methyl 3-methoxy-4-(2-oxidanylidenepropyl)benzoate Openeye Name: methyl 4-acetonyl-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-oxopropyl)benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-(2-oxopropyl)benzoate Traditional Name: 4-acetonyl-3-methoxy-benzoic acid methyl ester Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4/c1-8(13)6-9-4-5-10(12(14)16-3)7-11(9)15-2/h4-5,7H,6H2,1-3H3