5-[2-[2-(3-phenylphenyl)ethynyl]phenyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-[2-(3-phenylphenyl)ethynyl]phenyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[2-[2-(3-phenylphenyl)ethynyl]phenyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[2-[2-(3-phenylphenyl)ethynyl]phenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[2-[2-(3-phenylphenyl)ethynyl]phenyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[2-[2-(3-phenylphenyl)ethynyl]phenyl]isophthalic acid Formula: C28H18O4 MolecularWeight: 418.44012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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