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

Systemtic Name: 4-[2-[4-carboxy-2-(2-phenylethynyl)phenyl]propan-2-yl]-3-(2-phenylethynyl)benzoic acid Openeye Name: 4-[1-[4-carboxy-2-(2-phenylethynyl)phenyl]-1-methyl-ethyl]-3-(2-phenylethynyl)benzoic acid CAS Name: 4-[2-[4-carboxy-2-(2-phenylethynyl)phenyl]propan-2-yl]-3-(2-phenylethynyl)benzoic acid IUPAC Name: 4-[2-[4-carboxy-2-(2-phenylethynyl)phenyl]propan-2-yl]-3-(2-phenylethynyl)benzoic acid Traditional Name: 4-[1-[4-carboxy-2-(2-phenylethynyl)phenyl]-1-methyl-ethyl]-3-(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(=O)O)C#CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)O)C#CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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