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

Systemtic Name: 3-[2-[3-carboxy-2-(2-phenylethynyl)phenyl]propan-2-yl]-2-(2-phenylethynyl)benzoic acid Openeye Name: 3-[1-[3-carboxy-2-(2-phenylethynyl)phenyl]-1-methyl-ethyl]-2-(2-phenylethynyl)benzoic acid CAS Name: 3-[2-[3-carboxy-2-(2-phenylethynyl)phenyl]propan-2-yl]-2-(2-phenylethynyl)benzoic acid IUPAC Name: 3-[2-[3-carboxy-2-(2-phenylethynyl)phenyl]propan-2-yl]-2-(2-phenylethynyl)benzoic acid Traditional Name: 3-[1-[3-carboxy-2-(2-phenylethynyl)phenyl]-1-methyl-ethyl]-2-(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#CC2=CC=CC=C2)C(=O)O)C3=CC=CC(=C3C#CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

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

InChI

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