4-[2-(8-cyano-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(8-cyano-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(8-cyano-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid CAS Name: 4-[2-(8-cyano-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(8-cyano-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(8-cyano-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid Formula: C22H17NO2 MolecularWeight: 327.37588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO2/c1-22(2)12-11-18(14-23)19-13-16(7-10-20(19)22)4-3-15-5-8-17(9-6-15)21(24)25/h5-11,13H,12H2,1-2H3,(H,24,25)