4-(4-methyl-2-oxidanylidene-chromen-7-yl)oxybut-2-ynyl benzoate

Systemtic Name: 4-(4-methyl-2-oxidanylidene-chromen-7-yl)oxybut-2-ynyl benzoate Openeye Name: 4-(4-methyl-2-oxo-chromen-7-yl)oxybut-2-ynyl benzoate CAS Name: benzoic acid 4-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]but-2-ynyl ester IUPAC Name: 4-(4-methyl-2-oxochromen-7-yl)oxybut-2-ynyl benzoate Traditional Name: benzoic acid 4-(2-keto-4-methyl-chromen-7-yl)oxybut-2-ynyl ester Formula: C21H16O5 MolecularWeight: 348.34874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC#CCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC#CCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H16O5/c1-15-13-20(22)26-19-14-17(9-10-18(15)19)24-11-5-6-12-25-21(23)16-7-3-2-4-8-16/h2-4,7-10,13-14H,11-12H2,1H3