sodium 2-heptylpyrrole-1-sulfonate

Systemtic Name: sodium 2-heptylpyrrole-1-sulfonate Openeye Name: sodium 2-heptylpyrrole-1-sulfonate CAS Name: sodium 2-heptyl-1-pyrrolesulfonate IUPAC Name: sodium 2-heptylpyrrole-1-sulfonate Traditional Name: sodium 2-heptylpyrrole-1-sulfonate Formula: C11H18NNaO3S MolecularWeight: 267.32029

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CN1S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC1=CC=CN1S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H19NO3S.Na/c1-2-3-4-5-6-8-11-9-7-10-12(11)16(13,14)15;/h7,9-10H,2-6,8H2,1H3,(H,13,14,15);/q;+1/p-1