2-[2,5,6-tris(2-sulfoethyl)pyridin-3-yl]ethanesulfonic acid

Systemtic Name: 2-[2,5,6-tris(2-sulfoethyl)pyridin-3-yl]ethanesulfonic acid Openeye Name: 2-[2,5,6-tris(2-sulfoethyl)-3-pyridyl]ethanesulfonic acid CAS Name: 2-[2,5,6-tris(2-sulfoethyl)-3-pyridinyl]ethanesulfonic acid IUPAC Name: 2-[2,5,6-tris(2-sulfoethyl)pyridin-3-yl]ethanesulfonic acid Traditional Name: 2-[2,5,6-tris(2-sulfoethyl)-3-pyridyl]ethanesulfonic acid Formula: C13H21NO12S4 MolecularWeight: 511.56534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO12S4/c15-27(16,17)5-1-10-9-11(2-6-28(18,19)20)13(4-8-30(24,25)26)14-12(10)3-7-29(21,22)23/h9H,1-8H2,(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)