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2-octylpyrrole-1-sulfonate

2-octylpyrrole-1-sulfonate

Systemtic Name:2-octylpyrrole-1-sulfonate
Openeye Name:2-octylpyrrole-1-sulfonate
CAS Name:2-octyl-1-pyrrolesulfonate
IUPAC Name:2-octylpyrrole-1-sulfonate
Traditional Name:2-octylpyrrole-1-sulfonate
Formula: C12H20NO3S-
MolecularWeight: 258.3571
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CN1S(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCC1=CC=CN1S(=O)(=O)[O-]


InChI

InChI=1S/C12H21NO3S/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)/p-1


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