sodium 4-oxidanylidenepentane-2-sulfonate

Systemtic Name: sodium 4-oxidanylidenepentane-2-sulfonate Openeye Name: sodium 4-oxopentane-2-sulfonate CAS Name: sodium 4-oxo-2-pentanesulfonate IUPAC Name: sodium 4-oxopentane-2-sulfonate Traditional Name: sodium 4-ketopentane-2-sulfonate Formula: C5H9NaO4S MolecularWeight: 188.17733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H10O4S.Na/c1-4(6)3-5(2)10(7,8)9;/h5H,3H2,1-2H3,(H,7,8,9);/q;+1/p-1