propane-1,2-diol sulfate

Systemtic Name: propane-1,2-diol sulfate Openeye Name: propane-1,2-diol sulfate CAS Name: propane-1,2-diol sulfate IUPAC Name: propane-1,2-diol sulfate Traditional Name: propane-1,2-diol sulfate Formula: C3H8O6S-2 MolecularWeight: 172.15702

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(CO)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C3H8O2.H2O4S/c1-3(5)2-4;1-5(2,3)4/h3-5H,2H2,1H3;(H2,1,2,3,4)/p-2