2-(2,2-dimethyl-4-oxidanylidene-3H-chromen-6-yl)ethynyl benzoate

Systemtic Name: 2-(2,2-dimethyl-4-oxidanylidene-3H-chromen-6-yl)ethynyl benzoate Openeye Name: 2-(2,2-dimethyl-4-oxo-chroman-6-yl)ethynyl benzoate CAS Name: benzoic acid 2-(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl ester IUPAC Name: 2-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethynyl benzoate Traditional Name: benzoic acid 2-(4-keto-2,2-dimethyl-chroman-6-yl)ethynyl ester Formula: C20H16O4 MolecularWeight: 320.33864

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(O1)C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)C2=C(O1)C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H16O4/c1-20(2)13-17(21)16-12-14(8-9-18(16)24-20)10-11-23-19(22)15-6-4-3-5-7-15/h3-9,12H,13H2,1-2H3