4-(4-heptylphenyl)-3-[4-(2-pentanoyloxypropoxy)phenyl]benzoic acid

Systemtic Name: 4-(4-heptylphenyl)-3-[4-(2-pentanoyloxypropoxy)phenyl]benzoic acid Openeye Name: 4-(4-heptylphenyl)-3-[4-(2-pentanoyloxypropoxy)phenyl]benzoic acid CAS Name: 4-(4-heptylphenyl)-3-[4-[2-(1-oxopentoxy)propoxy]phenyl]benzoic acid IUPAC Name: 4-(4-heptylphenyl)-3-[4-(2-pentanoyloxypropoxy)phenyl]benzoic acid Traditional Name: 4-(4-heptylphenyl)-3-[4-(2-valeryloxypropoxy)phenyl]benzoic acid Formula: C34H42O5 MolecularWeight: 530.69428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C34H42O5/c1-4-6-8-9-10-11-26-13-15-27(16-14-26)31-22-19-29(34(36)37)23-32(31)28-17-20-30(21-18-28)38-24-25(3)39-33(35)12-7-5-2/h13-23,25H,4-12,24H2,1-3H3,(H,36,37)