sodium 4-(3-methylpyrrol-1-yl)benzenesulfonate

Systemtic Name: sodium 4-(3-methylpyrrol-1-yl)benzenesulfonate Openeye Name: sodium 4-(3-methylpyrrol-1-yl)benzenesulfonate CAS Name: sodium 4-(3-methyl-1-pyrrolyl)benzenesulfonate IUPAC Name: sodium 4-(3-methylpyrrol-1-yl)benzenesulfonate Traditional Name: sodium 4-(3-methylpyrrol-1-yl)besylate Formula: C11H10NNaO3S MolecularWeight: 259.25677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=C1)C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CN(C=C1)C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H11NO3S.Na/c1-9-6-7-12(8-9)10-2-4-11(5-3-10)16(13,14)15;/h2-8H,1H3,(H,13,14,15);/q;+1/p-1