pentanedial; [3-(2-sulfanylethanoyloxy)-2,2-bis(2-sulfanylethanoyloxymethyl)propyl] 2-sulfanylethanoate

Systemtic Name: pentanedial; [3-(2-sulfanylethanoyloxy)-2,2-bis(2-sulfanylethanoyloxymethyl)propyl] 2-sulfanylethanoate Openeye Name: pentanedial; [3-(2-sulfanylacetyl)oxy-2,2-bis[(2-sulfanylacetyl)oxymethyl]propyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [3-(2-mercapto-1-oxoethoxy)-2,2-bis[(2-mercapto-1-oxoethoxy)methyl]propyl] ester; pentanedial IUPAC Name: pentanedial; [3-(2-sulfanylacetyl)oxy-2,2-bis[(2-sulfanylacetyl)oxymethyl]propyl] 2-sulfanylacetate Traditional Name: glutaraldehyde; 2-mercaptoacetic acid [3-(2-mercaptoacetyl)oxy-2,2-bis[(2-mercaptoacetyl)oxymethyl]propyl] ester Formula: C18H28O10S4 MolecularWeight: 532.66892

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Descriptors Computed from Structure

Canonical SMILES:

C(CC=O)CC=O.C(C(=O)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS)S

Isomeric SMILES

C(CC=O)CC=O.C(C(=O)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS)S

InChI

InChI=1S/C13H20O8S4.C5H8O2/c14-9(1-22)18-5-13(6-19-10(15)2-23,7-20-11(16)3-24)8-21-12(17)4-25;6-4-2-1-3-5-7/h22-25H,1-8H2;4-5H,1-3H2