4-[1,3-bis(hexadecylsulfanyl)propan-2-yloxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1,3-bis(hexadecylsulfanyl)propan-2-yloxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-hexadecylsulfanyl-1-(hexadecylsulfanylmethyl)ethoxy]-4-oxo-butanoic acid CAS Name: 4-[1,3-bis(hexadecylthio)propan-2-yloxy]-4-oxobutanoic acid IUPAC Name: 4-[1,3-bis(hexadecylsulfanyl)propan-2-yloxy]-4-oxobutanoic acid Traditional Name: 4-[2-(cetylthio)-1-[(cetylthio)methyl]ethoxy]-4-keto-butyric acid Formula: C39H76O4S2 MolecularWeight: 673.14834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CSCCCCCCCCCCCCCCCC)OC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CSCCCCCCCCCCCCCCCC)OC(=O)CCC(=O)O

InChI

InChI=1S/C39H76O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-44-35-37(43-39(42)32-31-38(40)41)36-45-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,40,41)