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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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