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

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 3-sulfanylidenepropanoic acid Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 3-thioxopropanoic acid CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 3-sulfanylidenepropanoic acid IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 3-sulfanylidenepropanoic acid Traditional Name: 2,2-dimethylolpropane-1,3-diol; 3-thioxopropionic acid Formula: C28H48O20S6 MolecularWeight: 897.05872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C5H12O4.6C3H4O2S/c2*6-1-5(2-7,3-8)4-9;6*4-3(5)1-2-6/h2*6-9H,1-4H2;6*2H,1H2,(H,4,5)