(5-ethanoyl-1-methyl-pyrrol-2-yl)methanesulfonic acid

Systemtic Name: (5-ethanoyl-1-methyl-pyrrol-2-yl)methanesulfonic acid Openeye Name: (5-acetyl-1-methyl-pyrrol-2-yl)methanesulfonic acid CAS Name: (5-acetyl-1-methyl-2-pyrrolyl)methanesulfonic acid IUPAC Name: (5-acetyl-1-methylpyrrol-2-yl)methanesulfonic acid Traditional Name: (5-acetyl-1-methyl-pyrrol-2-yl)methanesulfonic acid Formula: C8H11NO4S MolecularWeight: 217.24224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(N1C)CS(=O)(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(N1C)CS(=O)(=O)O

InChI

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