3-[5-carboxy-2-(2-phenylethynyl)phenyl]-4-(2-phenylethynyl)benzoic acid

Systemtic Name: 3-[5-carboxy-2-(2-phenylethynyl)phenyl]-4-(2-phenylethynyl)benzoic acid Openeye Name: 3-[5-carboxy-2-(2-phenylethynyl)phenyl]-4-(2-phenylethynyl)benzoic acid CAS Name: 3-[5-carboxy-2-(2-phenylethynyl)phenyl]-4-(2-phenylethynyl)benzoic acid IUPAC Name: 3-[5-carboxy-2-(2-phenylethynyl)phenyl]-4-(2-phenylethynyl)benzoic acid Traditional Name: 3-[5-carboxy-2-(2-phenylethynyl)phenyl]-4-(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=C(C=C2)C(=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=C(C=C2)C(=O)O)C3=C(C=CC(=C3)C(=O)O)C#CC4=CC=CC=C4

InChI

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