3-[4-(2-butanoyloxypropoxy)phenyl]-4-(4-hexoxyphenyl)benzoic acid

Systemtic Name: 3-[4-(2-butanoyloxypropoxy)phenyl]-4-(4-hexoxyphenyl)benzoic acid Openeye Name: 3-[4-(2-butanoyloxypropoxy)phenyl]-4-(4-hexoxyphenyl)benzoic acid CAS Name: 4-(4-hexoxyphenyl)-3-[4-[2-(1-oxobutoxy)propoxy]phenyl]benzoic acid IUPAC Name: 3-[4-(2-butanoyloxypropoxy)phenyl]-4-(4-hexoxyphenyl)benzoic acid Traditional Name: 3-[4-(2-butyryloxypropoxy)phenyl]-4-(4-hexoxyphenyl)benzoic acid Formula: C32H38O6 MolecularWeight: 518.64052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C3=CC=C(C=C3)OCC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C3=CC=C(C=C3)OCC(C)OC(=O)CCC

InChI

InChI=1S/C32H38O6/c1-4-6-7-8-20-36-27-15-10-24(11-16-27)29-19-14-26(32(34)35)21-30(29)25-12-17-28(18-13-25)37-22-23(3)38-31(33)9-5-2/h10-19,21,23H,4-9,20,22H2,1-3H3,(H,34,35)