3-(2-oxidanylbutoxy)-3-sulfino-propane-1-sulfonic acid

Systemtic Name: 3-(2-oxidanylbutoxy)-3-sulfino-propane-1-sulfonic acid Openeye Name: 3-(2-hydroxybutoxy)-3-sulfino-propane-1-sulfonic acid CAS Name: 3-(2-hydroxybutoxy)-3-sulfino-1-propanesulfonic acid IUPAC Name: 3-(2-hydroxybutoxy)-3-sulfinopropane-1-sulfonic acid Traditional Name: 3-(2-hydroxybutoxy)-3-sulfino-propane-1-sulfonic acid Formula: C7H16O7S2 MolecularWeight: 276.32774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(CCS(=O)(=O)O)S(=O)O)O

Isomeric SMILES

CCC(COC(CCS(=O)(=O)O)S(=O)O)O

InChI

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