2-(hydroxymethyl)-2-methyl-propane-1,3-diol; 3-sulfanylpropanoic acid

Systemtic Name: 2-(hydroxymethyl)-2-methyl-propane-1,3-diol; 3-sulfanylpropanoic acid Openeye Name: 2-(hydroxymethyl)-2-methyl-propane-1,3-diol; 3-sulfanylpropanoic acid CAS Name: 2-(hydroxymethyl)-2-methylpropane-1,3-diol; 3-mercaptopropanoic acid IUPAC Name: 2-(hydroxymethyl)-2-methylpropane-1,3-diol; 3-sulfanylpropanoic acid Traditional Name: 3-mercaptopropionic acid; 2-methyl-2-methylol-propane-1,3-diol Formula: C14H30O9S3 MolecularWeight: 438.5776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H12O3.3C3H6O2S/c1-5(2-6,3-7)4-8;3*4-3(5)1-2-6/h6-8H,2-4H2,1H3;3*6H,1-2H2,(H,4,5)