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

Systemtic Name: 2-[2-[2-carboxy-3-(2-phenylethynyl)phenyl]propan-2-yl]-6-(2-phenylethynyl)benzoic acid Openeye Name: 2-[1-[2-carboxy-3-(2-phenylethynyl)phenyl]-1-methyl-ethyl]-6-(2-phenylethynyl)benzoic acid CAS Name: 2-[2-[2-carboxy-3-(2-phenylethynyl)phenyl]propan-2-yl]-6-(2-phenylethynyl)benzoic acid IUPAC Name: 2-[2-[2-carboxy-3-(2-phenylethynyl)phenyl]propan-2-yl]-6-(2-phenylethynyl)benzoic acid Traditional Name: 2-[1-[2-carboxy-3-(2-phenylethynyl)phenyl]-1-methyl-ethyl]-6-(2-phenylethynyl)benzoic acid Formula: C33H24O4 MolecularWeight: 484.54126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC(=C1C(=O)O)C#CC2=CC=CC=C2)C3=CC=CC(=C3C(=O)O)C#CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C1=CC=CC(=C1C(=O)O)C#CC2=CC=CC=C2)C3=CC=CC(=C3C(=O)O)C#CC4=CC=CC=C4

InChI

InChI=1S/C33H24O4/c1-33(2,27-17-9-15-25(29(27)31(34)35)21-19-23-11-5-3-6-12-23)28-18-10-16-26(30(28)32(36)37)22-20-24-13-7-4-8-14-24/h3-18H,1-2H3,(H,34,35)(H,36,37)