docosyl 2,3-bis(sulfanyl)propanoate; docosyl 2-carboxyoxysulfanyl-3-sulfanyl-propanoate

Systemtic Name: docosyl 2,3-bis(sulfanyl)propanoate; docosyl 2-carboxyoxysulfanyl-3-sulfanyl-propanoate Openeye Name: docosyl 2,3-bis(sulfanyl)propanoate; docosyl 2-carboxyoxysulfanyl-3-sulfanyl-propanoate CAS Name: 2-(carboxyoxythio)-3-mercaptopropanoic acid docosyl ester; 2,3-dimercaptopropanoic acid docosyl ester IUPAC Name: docosyl 2,3-bis(sulfanyl)propanoate; docosyl 2-carboxyoxysulfanyl-3-sulfanylpropanoate Traditional Name: 2-(carboxyoxythio)-3-mercapto-propionic acid behenyl ester; 2,3-dimercaptopropionic acid behenyl ester Formula: C51H100O7S4 MolecularWeight: 953.5955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(CS)S.CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(CS)SOC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(CS)S.CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(CS)SOC(=O)O

InChI

InChI=1S/C26H50O5S2.C25H50O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-25(27)24(23-32)33-31-26(28)29;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-25(26)24(29)23-28/h24,32H,2-23H2,1H3,(H,28,29);24,28-29H,2-23H2,1H3