3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-methyl-propanoic acid

Systemtic Name: 3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[2,3-bis(1-oxohexadecoxy)propylthio]-2-methylpropanoic acid IUPAC Name: 3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[2,3-di(hexadecanoyloxy)propylthio]-2-methyl-propionic acid Formula: C39H74O6S MolecularWeight: 671.06626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C39H74O6S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37(40)44-32-36(34-46-33-35(3)39(42)43)45-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35-36H,4-34H2,1-3H3,(H,42,43)