sodium 3-(4-methylpentan-2-yloxy)-2-oxidanyl-propane-1-sulfonate

Systemtic Name: sodium 3-(4-methylpentan-2-yloxy)-2-oxidanyl-propane-1-sulfonate Openeye Name: sodium 3-(1,3-dimethylbutoxy)-2-hydroxy-propane-1-sulfonate CAS Name: sodium 2-hydroxy-3-(4-methylpentan-2-yloxy)-1-propanesulfonate IUPAC Name: sodium 2-hydroxy-3-(4-methylpentan-2-yloxy)propane-1-sulfonate Traditional Name: sodium 3-(1,3-dimethylbutoxy)-2-hydroxy-propane-1-sulfonate Formula: C9H19NaO5S MolecularWeight: 262.29893

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)OCC(CS(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CC(C)CC(C)OCC(CS(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C9H20O5S.Na/c1-7(2)4-8(3)14-5-9(10)6-15(11,12)13;/h7-10H,4-6H2,1-3H3,(H,11,12,13);/q;+1/p-1