3-[3,5-bis(bromanyl)pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[3,5-bis(bromanyl)pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-(3,5-dibromopyridin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(3,5-dibromo-1-pyridin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(3,5-dibromopyridin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(3,5-dibromopyridin-1-ium-1-yl)propane-1-sulfonate Formula: C8H9Br2NO3S MolecularWeight: 359.03496

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=[N+](C=C1Br)CCCS(=O)(=O)[O-])Br

Isomeric SMILES

C1=C(C=[N+](C=C1Br)CCCS(=O)(=O)[O-])Br

InChI

InChI=1S/C8H9Br2NO3S/c9-7-4-8(10)6-11(5-7)2-1-3-15(12,13)14/h4-6H,1-3H2