[2-(hydroxymethyl)-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate

Systemtic Name: [2-(hydroxymethyl)-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate Openeye Name: [2-(hydroxymethyl)-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate CAS Name: 3-mercaptopropanoic acid [2-(hydroxymethyl)-2-[(3-mercapto-1-oxopropoxy)methyl]butyl] ester IUPAC Name: [2-(hydroxymethyl)-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate Traditional Name: 3-mercaptopropionic acid [2-(3-mercaptopropanoyloxymethyl)-2-methylol-butyl] ester Formula: C12H22O5S2 MolecularWeight: 310.43008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(COC(=O)CCS)COC(=O)CCS

Isomeric SMILES

CCC(CO)(COC(=O)CCS)COC(=O)CCS

InChI

InChI=1S/C12H22O5S2/c1-2-12(7-13,8-16-10(14)3-5-18)9-17-11(15)4-6-19/h13,18-19H,2-9H2,1H3