3-(3-octoxy-4-phenyl-phenyl)phthalic acid

Systemtic Name: 3-(3-octoxy-4-phenyl-phenyl)phthalic acid Openeye Name: 3-(3-octoxy-4-phenyl-phenyl)phthalic acid CAS Name: 3-(3-octoxy-4-phenylphenyl)phthalic acid IUPAC Name: 3-(3-octoxy-4-phenylphenyl)phthalic acid Traditional Name: 3-(3-octoxy-4-phenyl-phenyl)phthalic acid Formula: C28H30O5 MolecularWeight: 446.5348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)C2=C(C(=CC=C2)C(=O)O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)C2=C(C(=CC=C2)C(=O)O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C28H30O5/c1-2-3-4-5-6-10-18-33-25-19-21(16-17-22(25)20-12-8-7-9-13-20)23-14-11-15-24(27(29)30)26(23)28(31)32/h7-9,11-17,19H,2-6,10,18H2,1H3,(H,29,30)(H,31,32)