methyl 4-[2-(5,5-dimethyl-8-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl]benzoate

Systemtic Name: methyl 4-[2-(5,5-dimethyl-8-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl]benzoate Openeye Name: methyl 4-[2-(1,1-dimethyl-4-oxo-tetralin-6-yl)ethynyl]benzoate CAS Name: 4-[2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]benzoate Traditional Name: 4-[2-(4-keto-1,1-dimethyl-tetralin-6-yl)ethynyl]benzoic acid methyl ester Formula: C22H20O3 MolecularWeight: 332.3924

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1(CCC(=O)C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C22H20O3/c1-22(2)13-12-20(23)18-14-16(8-11-19(18)22)5-4-15-6-9-17(10-7-15)21(24)25-3/h6-11,14H,12-13H2,1-3H3