2-[5-(2-sulfoethyl)pyridin-3-yl]ethanesulfonic acid

Systemtic Name: 2-[5-(2-sulfoethyl)pyridin-3-yl]ethanesulfonic acid Openeye Name: 2-[5-(2-sulfoethyl)-3-pyridyl]ethanesulfonic acid CAS Name: 2-[5-(2-sulfoethyl)-3-pyridinyl]ethanesulfonic acid IUPAC Name: 2-[5-(2-sulfoethyl)pyridin-3-yl]ethanesulfonic acid Traditional Name: 2-[5-(2-sulfoethyl)-3-pyridyl]ethanesulfonic acid Formula: C9H13NO6S2 MolecularWeight: 295.33262

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=C1CCS(=O)(=O)O)CCS(=O)(=O)O

Isomeric SMILES

C1=C(C=NC=C1CCS(=O)(=O)O)CCS(=O)(=O)O

InChI

InChI=1S/C9H13NO6S2/c11-17(12,13)3-1-8-5-9(7-10-6-8)2-4-18(14,15)16/h5-7H,1-4H2,(H,11,12,13)(H,14,15,16)