2,2-bis(hydroxymethyl)propane-1,3-diol; sulfanyl propanoate

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; sulfanyl propanoate Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; sulfanyl propanoate CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; propanoic acid mercapto ester IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; sulfanyl propanoate Traditional Name: 2,2-dimethylolpropane-1,3-diol; propionic acid mercapto ester Formula: C8H18O6S MolecularWeight: 242.28992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OS.C(C(CO)(CO)CO)O

Isomeric SMILES

CCC(=O)OS.C(C(CO)(CO)CO)O

InChI

InChI=1S/C5H12O4.C3H6O2S/c6-1-5(2-7,3-8)4-9;1-2-3(4)5-6/h6-9H,1-4H2;6H,2H2,1H3