methyl 2-[2-(1-oxidanylidene-3,4-dihydroisochromen-3-yl)ethynyl]benzoate

Systemtic Name: methyl 2-[2-(1-oxidanylidene-3,4-dihydroisochromen-3-yl)ethynyl]benzoate Openeye Name: methyl 2-[2-(1-oxoisochroman-3-yl)ethynyl]benzoate CAS Name: 2-[2-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)ethynyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(1-oxo-3,4-dihydroisochromen-3-yl)ethynyl]benzoate Traditional Name: 2-[2-(1-ketoisochroman-3-yl)ethynyl]benzoic acid methyl ester Formula: C19H14O4 MolecularWeight: 306.31206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C#CC2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

COC(=O)C1=CC=CC=C1C#CC2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C19H14O4/c1-22-18(20)16-8-4-2-6-13(16)10-11-15-12-14-7-3-5-9-17(14)19(21)23-15/h2-9,15H,12H2,1H3