2-(6,6-dimethyl-4-oxidanylidene-5H-inden-2-yl)ethynyl benzoate

Systemtic Name: 2-(6,6-dimethyl-4-oxidanylidene-5H-inden-2-yl)ethynyl benzoate Openeye Name: 2-(6,6-dimethyl-4-oxo-5H-inden-2-yl)ethynyl benzoate CAS Name: benzoic acid 2-(6,6-dimethyl-4-oxo-5H-inden-2-yl)ethynyl ester IUPAC Name: 2-(6,6-dimethyl-4-oxo-5H-inden-2-yl)ethynyl benzoate Traditional Name: benzoic acid 2-(4-keto-6,6-dimethyl-5H-inden-2-yl)ethynyl ester Formula: C20H16O3 MolecularWeight: 304.33924

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=CC(=CC2=C1)C#COC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)C2=CC(=CC2=C1)C#COC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H16O3/c1-20(2)12-16-10-14(11-17(16)18(21)13-20)8-9-23-19(22)15-6-4-3-5-7-15/h3-7,10-12H,13H2,1-2H3