sodium (5-ethanoyl-1-methyl-pyrrol-2-yl)methanesulfonate

Systemtic Name: sodium (5-ethanoyl-1-methyl-pyrrol-2-yl)methanesulfonate Openeye Name: sodium (5-acetyl-1-methyl-pyrrol-2-yl)methanesulfonate CAS Name: sodium (5-acetyl-1-methyl-2-pyrrolyl)methanesulfonate IUPAC Name: sodium (5-acetyl-1-methylpyrrol-2-yl)methanesulfonate Traditional Name: sodium (5-acetyl-1-methyl-pyrrol-2-yl)methanesulfonate Formula: C8H10NNaO4S MolecularWeight: 239.22407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(N1C)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)C1=CC=C(N1C)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H11NO4S.Na/c1-6(10)8-4-3-7(9(8)2)5-14(11,12)13;/h3-4H,5H2,1-2H3,(H,11,12,13);/q;+1/p-1