3-[4-(4-octoxyphenyl)-3-pentyl-phenyl]phthalic acid

Systemtic Name: 3-[4-(4-octoxyphenyl)-3-pentyl-phenyl]phthalic acid Openeye Name: 3-[4-(4-octoxyphenyl)-3-pentyl-phenyl]phthalic acid CAS Name: 3-[4-(4-octoxyphenyl)-3-pentylphenyl]phthalic acid IUPAC Name: 3-[4-(4-octoxyphenyl)-3-pentylphenyl]phthalic acid Traditional Name: 3-[3-amyl-4-(4-octoxyphenyl)phenyl]phthalic acid Formula: C33H40O5 MolecularWeight: 516.6677

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H40O5/c1-3-5-7-8-9-11-22-38-27-19-16-24(17-20-27)28-21-18-26(23-25(28)13-10-6-4-2)29-14-12-15-30(32(34)35)31(29)33(36)37/h12,14-21,23H,3-11,13,22H2,1-2H3,(H,34,35)(H,36,37)