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

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 3-sulfanylpropanoic acid Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 3-sulfanylpropanoic acid CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 3-mercaptopropanoic acid IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 3-sulfanylpropanoic acid Traditional Name: 2,2-dimethylolpropane-1,3-diol; 3-mercaptopropionic acid Formula: C20H42O14S5 MolecularWeight: 666.86408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H12O4.5C3H6O2S/c6-1-5(2-7,3-8)4-9;5*4-3(5)1-2-6/h6-9H,1-4H2;5*6H,1-2H2,(H,4,5)