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: C28H60O20S6 MolecularWeight: 909.154

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

InChI

InChI=1S/2C5H12O4.6C3H6O2S/c2*6-1-5(2-7,3-8)4-9;6*4-3(5)1-2-6/h2*6-9H,1-4H2;6*6H,1-2H2,(H,4,5)