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

Systemtic Name: 4-[2-[4-carboxy-2-[2-(3-phenylphenyl)ethynyl]phenyl]propan-2-yl]-3-[2-(3-phenylphenyl)ethynyl]benzoic acid Openeye Name: 4-[1-[4-carboxy-2-[2-(3-phenylphenyl)ethynyl]phenyl]-1-methyl-ethyl]-3-[2-(3-phenylphenyl)ethynyl]benzoic acid CAS Name: 4-[2-[4-carboxy-2-[2-(3-phenylphenyl)ethynyl]phenyl]propan-2-yl]-3-[2-(3-phenylphenyl)ethynyl]benzoic acid IUPAC Name: 4-[2-[4-carboxy-2-[2-(3-phenylphenyl)ethynyl]phenyl]propan-2-yl]-3-[2-(3-phenylphenyl)ethynyl]benzoic acid Traditional Name: 4-[1-[4-carboxy-2-[2-(3-phenylphenyl)ethynyl]phenyl]-1-methyl-ethyl]-3-[2-(3-phenylphenyl)ethynyl]benzoic acid Formula: C45H32O4 MolecularWeight: 636.73318

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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=CC=CC=C3)C4=C(C=C(C=C4)C(=O)O)C#CC5=CC(=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C1=C(C=C(C=C1)C(=O)O)C#CC2=CC(=CC=C2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)O)C#CC5=CC(=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C45H32O4/c1-45(2,41-25-23-39(43(46)47)29-37(41)21-19-31-11-9-17-35(27-31)33-13-5-3-6-14-33)42-26-24-40(44(48)49)30-38(42)22-20-32-12-10-18-36(28-32)34-15-7-4-8-16-34/h3-18,23-30H,1-2H3,(H,46,47)(H,48,49)