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

Systemtic Name: 4-[2-[8-(4-cyanophenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[8-(4-cyanophenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid CAS Name: 4-[2-[8-(4-cyanophenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[8-(4-cyanophenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[8-(4-cyanophenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Formula: C28H21NO2 MolecularWeight: 403.47184

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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)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C28H21NO2/c1-28(2)16-15-24(22-10-7-21(18-29)8-11-22)25-17-20(9-14-26(25)28)4-3-19-5-12-23(13-6-19)27(30)31/h5-15,17H,16H2,1-2H3,(H,30,31)