(4-methoxy-4-oxidanylidene-but-2-ynyl) benzoate

Systemtic Name: (4-methoxy-4-oxidanylidene-but-2-ynyl) benzoate Openeye Name: (4-methoxy-4-oxo-but-2-ynyl) benzoate CAS Name: benzoic acid (4-methoxy-4-oxobut-2-ynyl) ester IUPAC Name: (4-methoxy-4-oxobut-2-ynyl) benzoate Traditional Name: benzoic acid (4-keto-4-methoxy-but-2-ynyl) ester Formula: C12H10O4 MolecularWeight: 218.2054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCOC(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)C#CCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H10O4/c1-15-11(13)8-5-9-16-12(14)10-6-3-2-4-7-10/h2-4,6-7H,9H2,1H3