3-(1-methylpyrrol-2-yl)propane-1-sulfonate

Systemtic Name: 3-(1-methylpyrrol-2-yl)propane-1-sulfonate Openeye Name: 3-(1-methylpyrrol-2-yl)propane-1-sulfonate CAS Name: 3-(1-methyl-2-pyrrolyl)-1-propanesulfonate IUPAC Name: 3-(1-methylpyrrol-2-yl)propane-1-sulfonate Traditional Name: 3-(1-methylpyrrol-2-yl)propane-1-sulfonate Formula: C8H12NO3S- MolecularWeight: 202.25078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CCCS(=O)(=O)[O-]

Isomeric SMILES

CN1C=CC=C1CCCS(=O)(=O)[O-]

InChI

InChI=1S/C8H13NO3S/c1-9-6-2-4-8(9)5-3-7-13(10,11)12/h2,4,6H,3,5,7H2,1H3,(H,10,11,12)/p-1