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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18O3/c1-21(2)12-11-19(22)17-10-7-15(13-18(17)21)4-3-14-5-8-16(9-6-14)20(23)24/h5-10,13H,11-12H2,1-2H3,(H,23,24)