3-[4-(2-heptanoyloxypropoxy)phenyl]-4-(4-octoxyphenyl)benzoic acid

Systemtic Name: 3-[4-(2-heptanoyloxypropoxy)phenyl]-4-(4-octoxyphenyl)benzoic acid Openeye Name: 3-[4-(2-heptanoyloxypropoxy)phenyl]-4-(4-octoxyphenyl)benzoic acid CAS Name: 4-(4-octoxyphenyl)-3-[4-[2-(1-oxoheptoxy)propoxy]phenyl]benzoic acid IUPAC Name: 3-[4-(2-heptanoyloxypropoxy)phenyl]-4-(4-octoxyphenyl)benzoic acid Traditional Name: 3-[4-(2-enanthyloxypropoxy)phenyl]-4-(4-octoxyphenyl)benzoic acid Formula: C37H48O6 MolecularWeight: 588.77342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCCC

InChI

InChI=1S/C37H48O6/c1-4-6-8-10-11-13-25-41-32-20-15-29(16-21-32)34-24-19-31(37(39)40)26-35(34)30-17-22-33(23-18-30)42-27-28(3)43-36(38)14-12-9-7-5-2/h15-24,26,28H,4-14,25,27H2,1-3H3,(H,39,40)