2-[2-carboxy-3-(2-phenylethynyl)phenyl]-6-(2-phenylethynyl)benzoic acid

Systemtic Name: 2-[2-carboxy-3-(2-phenylethynyl)phenyl]-6-(2-phenylethynyl)benzoic acid Openeye Name: 2-[2-carboxy-3-(2-phenylethynyl)phenyl]-6-(2-phenylethynyl)benzoic acid CAS Name: 2-[2-carboxy-3-(2-phenylethynyl)phenyl]-6-(2-phenylethynyl)benzoic acid IUPAC Name: 2-[2-carboxy-3-(2-phenylethynyl)phenyl]-6-(2-phenylethynyl)benzoic acid Traditional Name: 2-[2-carboxy-3-(2-phenylethynyl)phenyl]-6-(2-phenylethynyl)benzoic acid Formula: C30H18O4 MolecularWeight: 442.46152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C(C(=CC=C2)C3=CC=CC(=C3C(=O)O)C#CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C(C(=CC=C2)C3=CC=CC(=C3C(=O)O)C#CC4=CC=CC=C4)C(=O)O

InChI

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