[4-(4-icosanoyloxyphenyl)sulfanylphenyl] icosanoate

Systemtic Name: [4-(4-icosanoyloxyphenyl)sulfanylphenyl] icosanoate Openeye Name: [4-(4-icosanoyloxyphenyl)sulfanylphenyl] icosanoate CAS Name: eicosanoic acid [4-[[4-(1-oxoeicosoxy)phenyl]thio]phenyl] ester IUPAC Name: [4-(4-icosanoyloxyphenyl)sulfanylphenyl] icosanoate Traditional Name: arachidic acid [4-[(4-eicosanoyloxyphenyl)thio]phenyl] ester Formula: C52H86O4S MolecularWeight: 807.30184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OC(=O)CCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OC(=O)CCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C52H86O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-51(53)55-47-39-43-49(44-40-47)57-50-45-41-48(42-46-50)56-52(54)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-46H,3-38H2,1-2H3