[2-(hydroxymethyl)-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate

Systemtic Name: [2-(hydroxymethyl)-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate Openeye Name: [2-(hydroxymethyl)-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate CAS Name: 2-mercaptopropanoic acid [2-(hydroxymethyl)-2-[(2-mercapto-1-oxopropoxy)methyl]butyl] ester IUPAC Name: [2-(hydroxymethyl)-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate Traditional Name: 2-mercaptopropionic acid [2-(2-mercaptopropanoyloxymethyl)-2-methylol-butyl] ester Formula: C12H22O5S2 MolecularWeight: 310.43008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(COC(=O)C(C)S)COC(=O)C(C)S

Isomeric SMILES

CCC(CO)(COC(=O)C(C)S)COC(=O)C(C)S

InChI

InChI=1S/C12H22O5S2/c1-4-12(5-13,6-16-10(14)8(2)18)7-17-11(15)9(3)19/h8-9,13,18-19H,4-7H2,1-3H3