2-carboxy-3-[4-(4-octoxyphenyl)-3-pentyl-phenyl]benzoate

Systemtic Name: 2-carboxy-3-[4-(4-octoxyphenyl)-3-pentyl-phenyl]benzoate Openeye Name: 2-carboxy-3-[4-(4-octoxyphenyl)-3-pentyl-phenyl]benzoate CAS Name: 2-carboxy-3-[4-(4-octoxyphenyl)-3-pentylphenyl]benzoate IUPAC Name: 2-carboxy-3-[4-(4-octoxyphenyl)-3-pentylphenyl]benzoate Traditional Name: 3-[3-amyl-4-(4-octoxyphenyl)phenyl]-2-carboxy-benzoate Formula: C33H39O5- MolecularWeight: 515.65976

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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)/p-1