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

Systemtic Name: 2-[2-(5,5-dimethyl-8-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl]benzoate Openeye Name: 2-[2-(1,1-dimethyl-4-oxo-tetralin-6-yl)ethynyl]benzoate CAS Name: 2-[2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]benzoate IUPAC Name: 2-[2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]benzoate Traditional Name: 2-[2-(4-keto-1,1-dimethyl-tetralin-6-yl)ethynyl]benzoate Formula: C21H17O3- MolecularWeight: 317.35788

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C1C=CC(=C2)C#CC3=CC=CC=C3C(=O)[O-])C

Isomeric SMILES

CC1(CCC(=O)C2=C1C=CC(=C2)C#CC3=CC=CC=C3C(=O)[O-])C

InChI

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