sodium 3-(2-methylbutanoyloxy)propane-1-sulfonate

Systemtic Name: sodium 3-(2-methylbutanoyloxy)propane-1-sulfonate Openeye Name: sodium 3-(2-methylbutanoyloxy)propane-1-sulfonate CAS Name: sodium 3-(2-methyl-1-oxobutoxy)-1-propanesulfonate IUPAC Name: sodium 3-(2-methylbutanoyloxy)propane-1-sulfonate Traditional Name: sodium 3-(2-methylbutanoyloxy)propane-1-sulfonate Formula: C8H15NaO5S MolecularWeight: 246.25647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(C)C(=O)OCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H16O5S.Na/c1-3-7(2)8(9)13-5-4-6-14(10,11)12;/h7H,3-6H2,1-2H3,(H,10,11,12);/q;+1/p-1