[2,2-bis[3-(3-oxidanylidenebutanoylsulfanyl)propanoyloxymethyl]-3-(3-sulfanylpropanoyloxy)propyl] 3-sulfanylpropanoate

Systemtic Name: [2,2-bis[3-(3-oxidanylidenebutanoylsulfanyl)propanoyloxymethyl]-3-(3-sulfanylpropanoyloxy)propyl] 3-sulfanylpropanoate Openeye Name: [2,2-bis[3-(3-oxobutanoylsulfanyl)propanoyloxymethyl]-3-(3-sulfanylpropanoyloxy)propyl] 3-sulfanylpropanoate CAS Name: 3-mercaptopropanoic acid [2,2-bis[[3-(1,3-dioxobutylthio)-1-oxopropoxy]methyl]-3-(3-mercapto-1-oxopropoxy)propyl] ester IUPAC Name: [2,2-bis[3-(3-oxobutanoylsulfanyl)propanoyloxymethyl]-3-(3-sulfanylpropanoyloxy)propyl] 3-sulfanylpropanoate Traditional Name: 3-mercaptopropionic acid [2,2-bis[3-(acetoacetylthio)propanoyloxymethyl]-3-(3-mercaptopropanoyloxy)propyl] ester Formula: C25H36O12S4 MolecularWeight: 656.80614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCSC(=O)CC(=O)C

Isomeric SMILES

CC(=O)CC(=O)SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCSC(=O)CC(=O)C

InChI

InChI=1S/C25H36O12S4/c1-17(26)11-23(32)40-9-5-21(30)36-15-25(13-34-19(28)3-7-38,14-35-20(29)4-8-39)16-37-22(31)6-10-41-24(33)12-18(2)27/h38-39H,3-16H2,1-2H3