2-[6-(2-carboxyethylsulfanyl)hexylsulfanylmethyl]-2-tetradecyl-hexadecanoic acid

Systemtic Name: 2-[6-(2-carboxyethylsulfanyl)hexylsulfanylmethyl]-2-tetradecyl-hexadecanoic acid Openeye Name: 2-[6-(2-carboxyethylsulfanyl)hexylsulfanylmethyl]-2-tetradecyl-hexadecanoic acid CAS Name: 2-[[6-(2-carboxyethylthio)hexylthio]methyl]-2-tetradecylhexadecanoic acid IUPAC Name: 2-[6-(2-carboxyethylsulfanyl)hexylsulfanylmethyl]-2-tetradecylhexadecanoic acid Traditional Name: 2-[[6-(2-carboxyethylthio)hexylthio]methyl]-2-myristyl-palmitic acid Formula: C40H78O4S2 MolecularWeight: 687.17492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)(CSCCCCCCSCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)(CSCCCCCCSCCC(=O)O)C(=O)O

InChI

InChI=1S/C40H78O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-32-40(39(43)44,33-28-24-22-20-18-16-14-12-10-8-6-4-2)37-46-35-30-26-25-29-34-45-36-31-38(41)42/h3-37H2,1-2H3,(H,41,42)(H,43,44)