1-[2-[2-[2-(3-carboxypyridin-1-ium-1-yl)ethylsulfonyl]ethylsulfonyl]ethyl]pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-[2-[2-[2-(3-carboxypyridin-1-ium-1-yl)ethylsulfonyl]ethylsulfonyl]ethyl]pyridin-1-ium-3-carboxylic acid Openeye Name: 1-[2-[2-[2-(3-carboxypyridin-1-ium-1-yl)ethylsulfonyl]ethylsulfonyl]ethyl]pyridin-1-ium-3-carboxylic acid CAS Name: 1-[2-[2-[2-(3-carboxy-1-pyridin-1-iumyl)ethylsulfonyl]ethylsulfonyl]ethyl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-[2-[2-[2-(3-carboxypyridin-1-ium-1-yl)ethylsulfonyl]ethylsulfonyl]ethyl]pyridin-1-ium-3-carboxylic acid Traditional Name: 1-[2-[2-[2-(3-carboxypyridin-1-ium-1-yl)ethylsulfonyl]ethylsulfonyl]ethyl]pyridin-1-ium-3-carboxylic acid Formula: C18H22N2O8S2+2 MolecularWeight: 458.50588

Click to see the large picture

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/p+2