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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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