sodium 2-octylpyrrole-1-sulfonate

Systemtic Name: sodium 2-octylpyrrole-1-sulfonate Openeye Name: sodium 2-octylpyrrole-1-sulfonate CAS Name: sodium 2-octyl-1-pyrrolesulfonate IUPAC Name: sodium 2-octylpyrrole-1-sulfonate Traditional Name: sodium 2-octylpyrrole-1-sulfonate Formula: C12H20NNaO3S MolecularWeight: 281.34687

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CN1S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCC1=CC=CN1S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H21NO3S.Na/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)17(14,15)16;/h8,10-11H,2-7,9H2,1H3,(H,14,15,16);/q;+1/p-1