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

Systemtic Name: 2-[2-[2-carboxy-4-(2-phenylethynyl)phenyl]propan-2-yl]-5-(2-phenylethynyl)benzoic acid Openeye Name: 2-[1-[2-carboxy-4-(2-phenylethynyl)phenyl]-1-methyl-ethyl]-5-(2-phenylethynyl)benzoic acid CAS Name: 2-[2-[2-carboxy-4-(2-phenylethynyl)phenyl]propan-2-yl]-5-(2-phenylethynyl)benzoic acid IUPAC Name: 2-[2-[2-carboxy-4-(2-phenylethynyl)phenyl]propan-2-yl]-5-(2-phenylethynyl)benzoic acid Traditional Name: 2-[1-[2-carboxy-4-(2-phenylethynyl)phenyl]-1-methyl-ethyl]-5-(2-phenylethynyl)benzoic acid Formula: C33H24O4 MolecularWeight: 484.54126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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