4-[3-(4-carboxyphenyl)-2-[2-(3-phenylphenyl)ethynyl]phenyl]benzoic acid

Systemtic Name: 4-[3-(4-carboxyphenyl)-2-[2-(3-phenylphenyl)ethynyl]phenyl]benzoic acid Openeye Name: 4-[3-(4-carboxyphenyl)-2-[2-(3-phenylphenyl)ethynyl]phenyl]benzoic acid CAS Name: 4-[3-(4-carboxyphenyl)-2-[2-(3-phenylphenyl)ethynyl]phenyl]benzoic acid IUPAC Name: 4-[3-(4-carboxyphenyl)-2-[2-(3-phenylphenyl)ethynyl]phenyl]benzoic acid Traditional Name: 4-[3-(4-carboxyphenyl)-2-[2-(3-phenylphenyl)ethynyl]phenyl]benzoic acid Formula: C34H22O4 MolecularWeight: 494.53608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC(=C2)C#CC3=C(C=CC=C3C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC(=C2)C#CC3=C(C=CC=C3C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C34H22O4/c35-33(36)27-17-13-25(14-18-27)30-10-5-11-31(26-15-19-28(20-16-26)34(37)38)32(30)21-12-23-6-4-9-29(22-23)24-7-2-1-3-8-24/h1-11,13-20,22H,(H,35,36)(H,37,38)