2-[2-[2-(2-phenylphenyl)ethynyl]phenyl]terephthalic acid

Systemtic Name: 2-[2-[2-(2-phenylphenyl)ethynyl]phenyl]terephthalic acid Openeye Name: 2-[2-[2-(2-phenylphenyl)ethynyl]phenyl]terephthalic acid CAS Name: 2-[2-[2-(2-phenylphenyl)ethynyl]phenyl]terephthalic acid IUPAC Name: 2-[2-[2-(2-phenylphenyl)ethynyl]phenyl]terephthalic acid Traditional Name: 2-[2-[2-(2-phenylphenyl)ethynyl]phenyl]terephthalic acid Formula: C28H18O4 MolecularWeight: 418.44012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2C#CC3=CC=CC=C3C4=C(C=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C#CC3=CC=CC=C3C4=C(C=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C28H18O4/c29-27(30)22-16-17-25(28(31)32)26(18-22)24-13-7-5-11-21(24)15-14-20-10-4-6-12-23(20)19-8-2-1-3-9-19/h1-13,16-18H,(H,29,30)(H,31,32)