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

Systemtic Name: ethyl 4-(4,4-dimethyl-2-oxidanylidene-3H-chromen-6-yl)-2-ethynyl-benzoate Openeye Name: ethyl 4-(4,4-dimethyl-2-oxo-chroman-6-yl)-2-ethynyl-benzoate CAS Name: 4-(4,4-dimethyl-2-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)-2-ethynylbenzoic acid ethyl ester IUPAC Name: ethyl 4-(4,4-dimethyl-2-oxo-3H-chromen-6-yl)-2-ethynylbenzoate Traditional Name: 2-ethynyl-4-(2-keto-4,4-dimethyl-chroman-6-yl)benzoic acid ethyl ester Formula: C22H20O4 MolecularWeight: 348.3918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C2=CC3=C(C=C2)OC(=O)CC3(C)C)C#C

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C2=CC3=C(C=C2)OC(=O)CC3(C)C)C#C

InChI

InChI=1S/C22H20O4/c1-5-14-11-15(7-9-17(14)21(24)25-6-2)16-8-10-19-18(12-16)22(3,4)13-20(23)26-19/h1,7-12H,6,13H2,2-4H3