2-[4-(4-octylphenyl)phenyl]terephthalic acid

Systemtic Name: 2-[4-(4-octylphenyl)phenyl]terephthalic acid Openeye Name: 2-[4-(4-octylphenyl)phenyl]terephthalic acid CAS Name: 2-[4-(4-octylphenyl)phenyl]terephthalic acid IUPAC Name: 2-[4-(4-octylphenyl)phenyl]terephthalic acid Traditional Name: 2-[4-(4-octylphenyl)phenyl]terephthalic acid Formula: C28H30O4 MolecularWeight: 430.5354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C28H30O4/c1-2-3-4-5-6-7-8-20-9-11-21(12-10-20)22-13-15-23(16-14-22)26-19-24(27(29)30)17-18-25(26)28(31)32/h9-19H,2-8H2,1H3,(H,29,30)(H,31,32)