4-[2-[8,8-dimethyl-5-(2-phenylethynyl)-7H-naphthalen-2-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[8,8-dimethyl-5-(2-phenylethynyl)-7H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[8,8-dimethyl-5-(2-phenylethynyl)-7H-naphthalen-2-yl]ethynyl]benzoic acid CAS Name: 4-[2-[8,8-dimethyl-5-(2-phenylethynyl)-7H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[8,8-dimethyl-5-(2-phenylethynyl)-7H-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[8,8-dimethyl-5-(2-phenylethynyl)-7H-naphthalen-2-yl]ethynyl]benzoic acid Formula: C29H22O2 MolecularWeight: 402.48378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)C#CC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)C#CC4=CC=CC=C4)C

InChI

InChI=1S/C29H22O2/c1-29(2)19-18-24(14-10-21-6-4-3-5-7-21)26-17-13-23(20-27(26)29)9-8-22-11-15-25(16-12-22)28(30)31/h3-7,11-13,15-18,20H,19H2,1-2H3,(H,30,31)