3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[1-(3-sulfonatopropyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C16H20N2O6S2 MolecularWeight: 400.4698

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C2=CC=[N+](C=C2)CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1C2=CC=[N+](C=C2)CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-]

InChI

InChI=1S/C16H20N2O6S2/c19-25(20,21)13-1-7-17-9-3-15(4-10-17)16-5-11-18(12-6-16)8-2-14-26(22,23)24/h3-6,9-12H,1-2,7-8,13-14H2