1-[2-[2-[2-(3-carboxylatopyridin-1-ium-1-yl)ethylsulfonyl]ethylsulfonyl]ethyl]pyridin-1-ium-3-carboxylate

Systemtic Name: 1-[2-[2-[2-(3-carboxylatopyridin-1-ium-1-yl)ethylsulfonyl]ethylsulfonyl]ethyl]pyridin-1-ium-3-carboxylate Openeye Name: 1-[2-[2-[2-(3-carboxylatopyridin-1-ium-1-yl)ethylsulfonyl]ethylsulfonyl]ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-[2-[2-(3-carboxylato-1-pyridin-1-iumyl)ethylsulfonyl]ethylsulfonyl]ethyl]-3-pyridin-1-iumcarboxylate IUPAC Name: 1-[2-[2-[2-(3-carboxylatopyridin-1-ium-1-yl)ethylsulfonyl]ethylsulfonyl]ethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-[2-[2-(3-carboxylatopyridin-1-ium-1-yl)ethylsulfonyl]ethylsulfonyl]ethyl]pyridin-1-ium-3-carboxylate Formula: C18H20N2O8S2 MolecularWeight: 456.49

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCS(=O)(=O)CCS(=O)(=O)CC[N+]2=CC=CC(=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CCS(=O)(=O)CCS(=O)(=O)CC[N+]2=CC=CC(=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H20N2O8S2/c21-17(22)15-3-1-5-19(13-15)7-9-29(25,26)11-12-30(27,28)10-8-20-6-2-4-16(14-20)18(23)24/h1-6,13-14H,7-12H2