3-[3-carboxy-2-(2-phenylethynyl)phenyl]-2-(2-phenylethynyl)benzoic acid

Systemtic Name: 3-[3-carboxy-2-(2-phenylethynyl)phenyl]-2-(2-phenylethynyl)benzoic acid Openeye Name: 3-[3-carboxy-2-(2-phenylethynyl)phenyl]-2-(2-phenylethynyl)benzoic acid CAS Name: 3-[3-carboxy-2-(2-phenylethynyl)phenyl]-2-(2-phenylethynyl)benzoic acid IUPAC Name: 3-[3-carboxy-2-(2-phenylethynyl)phenyl]-2-(2-phenylethynyl)benzoic acid Traditional Name: 3-[3-carboxy-2-(2-phenylethynyl)phenyl]-2-(2-phenylethynyl)benzoic acid Formula: C30H18O4 MolecularWeight: 442.46152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C(C=CC=C2C(=O)O)C3=C(C(=CC=C3)C(=O)O)C#CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C(C=CC=C2C(=O)O)C3=C(C(=CC=C3)C(=O)O)C#CC4=CC=CC=C4

InChI

InChI=1S/C30H18O4/c31-29(32)27-15-7-13-23(25(27)19-17-21-9-3-1-4-10-21)24-14-8-16-28(30(33)34)26(24)20-18-22-11-5-2-6-12-22/h1-16H,(H,31,32)(H,33,34)