1-(2-oxidanylbutoxy)-3-sulfo-propane-2-sulfinate

Systemtic Name: 1-(2-oxidanylbutoxy)-3-sulfo-propane-2-sulfinate Openeye Name: 1-(2-hydroxybutoxy)-3-sulfo-propane-2-sulfinate CAS Name: 1-(2-hydroxybutoxy)-3-sulfo-2-propanesulfinate IUPAC Name: 1-(2-hydroxybutoxy)-3-sulfopropane-2-sulfinate Traditional Name: 1-(2-hydroxybutoxy)-3-sulfo-propane-2-sulfinate Formula: C7H15O7S2- MolecularWeight: 275.3198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COCC(CS(=O)(=O)O)S(=O)[O-])O

Isomeric SMILES

CCC(COCC(CS(=O)(=O)O)S(=O)[O-])O

InChI

InChI=1S/C7H16O7S2/c1-2-6(8)3-14-4-7(15(9)10)5-16(11,12)13/h6-8H,2-5H2,1H3,(H,9,10)(H,11,12,13)/p-1