2-(8,8-dimethyl-5-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl benzoate

Systemtic Name: 2-(8,8-dimethyl-5-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl benzoate Openeye Name: 2-(4,4-dimethyl-1-oxo-tetralin-6-yl)ethynyl benzoate CAS Name: benzoic acid 2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl ester IUPAC Name: 2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl benzoate Traditional Name: benzoic acid 2-(1-keto-4,4-dimethyl-tetralin-6-yl)ethynyl ester Formula: C21H18O3 MolecularWeight: 318.36582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C1C=C(C=C2)C#COC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CCC(=O)C2=C1C=C(C=C2)C#COC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H18O3/c1-21(2)12-10-19(22)17-9-8-15(14-18(17)21)11-13-24-20(23)16-6-4-3-5-7-16/h3-9,14H,10,12H2,1-2H3