[3-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [3-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [3-(3-amino-3-oxo-propyl)sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[(3-amino-3-oxopropyl)thio]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-(3-amino-3-oxopropyl)sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [3-[(3-amino-3-keto-propyl)thio]-2-hexadecanoyloxy-propyl] ester Formula: C38H73NO5S MolecularWeight: 656.05492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CSCCC(=O)N)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CSCCC(=O)N)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C38H73NO5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)43-33-35(34-45-32-31-36(39)40)44-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3,(H2,39,40)