methyl 3-methanoylbenzoate; methyl 3-[(E)-3-oxidanylideneprop-1-enyl]benzoate

Systemtic Name: methyl 3-methanoylbenzoate; methyl 3-[(E)-3-oxidanylideneprop-1-enyl]benzoate Openeye Name: methyl 3-formylbenzoate; methyl 3-[(E)-3-oxoprop-1-enyl]benzoate CAS Name: 3-formylbenzoic acid methyl ester; 3-[(E)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 3-formylbenzoate; methyl 3-[(E)-3-oxoprop-1-enyl]benzoate Traditional Name: 3-formylbenzoic acid methyl ester; 3-[(E)-3-ketoprop-1-enyl]benzoic acid methyl ester Formula: C20H18O6 MolecularWeight: 354.35332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C=CC=O.COC(=O)C1=CC=CC(=C1)C=O

Isomeric SMILES

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

InChI

InChI=1S/C11H10O3.C9H8O3/c1-14-11(13)10-6-2-4-9(8-10)5-3-7-12;1-12-9(11)8-4-2-3-7(5-8)6-10/h2-8H,1H3;2-6H,1H3/b5-3+;