methyl 5-ethynyl-2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 5-ethynyl-2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 5-ethynyl-2-[(E)-3-methoxy-3-oxo-prop-1-enyl]benzoate CAS Name: 5-ethynyl-2-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 5-ethynyl-2-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoate Traditional Name: 5-ethynyl-2-[(E)-3-keto-3-methoxy-prop-1-enyl]benzoic acid methyl ester Formula: C14H12O4 MolecularWeight: 244.24268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C=C(C=C1)C#C)C(=O)OC

Isomeric SMILES

COC(=O)/C=C/C1=C(C=C(C=C1)C#C)C(=O)OC

InChI

InChI=1S/C14H12O4/c1-4-10-5-6-11(7-8-13(15)17-2)12(9-10)14(16)18-3/h1,5-9H,2-3H3/b8-7+