[3-(2-sulfanylbutanoyloxy)-2,2-bis(2-sulfanylbutanoyloxymethyl)propyl] 2-sulfanylbutanoate

Systemtic Name: [3-(2-sulfanylbutanoyloxy)-2,2-bis(2-sulfanylbutanoyloxymethyl)propyl] 2-sulfanylbutanoate Openeye Name: [3-(2-sulfanylbutanoyloxy)-2,2-bis(2-sulfanylbutanoyloxymethyl)propyl] 2-sulfanylbutanoate CAS Name: 2-mercaptobutanoic acid [3-(2-mercapto-1-oxobutoxy)-2,2-bis[(2-mercapto-1-oxobutoxy)methyl]propyl] ester IUPAC Name: [3-(2-sulfanylbutanoyloxy)-2,2-bis(2-sulfanylbutanoyloxymethyl)propyl] 2-sulfanylbutanoate Traditional Name: 2-mercaptobutyric acid [3-(2-mercaptobutanoyloxy)-2,2-bis(2-mercaptobutanoyloxymethyl)propyl] ester Formula: C21H36O8S4 MolecularWeight: 544.76574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(COC(=O)C(CC)S)(COC(=O)C(CC)S)COC(=O)C(CC)S)S

Isomeric SMILES

CCC(C(=O)OCC(COC(=O)C(CC)S)(COC(=O)C(CC)S)COC(=O)C(CC)S)S

InChI

InChI=1S/C21H36O8S4/c1-5-13(30)17(22)26-9-21(10-27-18(23)14(31)6-2,11-28-19(24)15(32)7-3)12-29-20(25)16(33)8-4/h13-16,30-33H,5-12H2,1-4H3