2-(hydroxymethyl)-2-(sulfanylmethyl)propane-1,3-diol; 2-sulfanylethanoic acid

Systemtic Name: 2-(hydroxymethyl)-2-(sulfanylmethyl)propane-1,3-diol; 2-sulfanylethanoic acid Openeye Name: 2-(hydroxymethyl)-2-(sulfanylmethyl)propane-1,3-diol; 2-sulfanylacetic acid CAS Name: 2-(hydroxymethyl)-2-(mercaptomethyl)propane-1,3-diol; 2-mercaptoacetic acid IUPAC Name: 2-(hydroxymethyl)-2-(sulfanylmethyl)propane-1,3-diol; 2-sulfanylacetic acid Traditional Name: 2-mercaptoacetic acid; 2-(mercaptomethyl)-2-methylol-propane-1,3-diol Formula: C13H28O11S5 MolecularWeight: 520.67982

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)O)S.C(C(=O)O)S.C(C(=O)O)S.C(C(=O)O)S.C(C(CO)(CO)CS)O

Isomeric SMILES

C(C(=O)O)S.C(C(=O)O)S.C(C(=O)O)S.C(C(=O)O)S.C(C(CO)(CO)CS)O

InChI

InChI=1S/C5H12O3S.4C2H4O2S/c6-1-5(2-7,3-8)4-9;4*3-2(4)1-5/h6-9H,1-4H2;4*5H,1H2,(H,3,4)