sodium 4-methylsulfonylbutane-2-sulfonate

Systemtic Name: sodium 4-methylsulfonylbutane-2-sulfonate Openeye Name: sodium 4-methylsulfonylbutane-2-sulfonate CAS Name: sodium 4-methylsulfonyl-2-butanesulfonate IUPAC Name: sodium 4-methylsulfonylbutane-2-sulfonate Traditional Name: sodium 4-mesylbutane-2-sulfonate Formula: C5H11NaO5S2 MolecularWeight: 238.25761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H12O5S2.Na/c1-5(12(8,9)10)3-4-11(2,6)7;/h5H,3-4H2,1-2H3,(H,8,9,10);/q;+1/p-1