sodium 1-methylpyrrole-3-sulfonate hydrate

Systemtic Name: sodium 1-methylpyrrole-3-sulfonate hydrate Openeye Name: sodium 1-methylpyrrole-3-sulfonate hydrate CAS Name: sodium 1-methyl-3-pyrrolesulfonate hydrate IUPAC Name: sodium 1-methylpyrrole-3-sulfonate hydrate Traditional Name: sodium 1-methylpyrrole-3-sulfonate hydrate Formula: C5H8NNaO4S MolecularWeight: 201.17609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)S(=O)(=O)[O-].O.[Na+]

Isomeric SMILES

CN1C=CC(=C1)S(=O)(=O)[O-].O.[Na+]

InChI

InChI=1S/C5H7NO3S.Na.H2O/c1-6-3-2-5(4-6)10(7,8)9;;/h2-4H,1H3,(H,7,8,9);;1H2/q;+1;/p-1