2-[2,3-bis(2-sulfoethyl)pyridin-4-yl]ethanesulfonic acid

Systemtic Name: 2-[2,3-bis(2-sulfoethyl)pyridin-4-yl]ethanesulfonic acid Openeye Name: 2-[2,3-bis(2-sulfoethyl)-4-pyridyl]ethanesulfonic acid CAS Name: 2-[2,3-bis(2-sulfoethyl)-4-pyridinyl]ethanesulfonic acid IUPAC Name: 2-[2,3-bis(2-sulfoethyl)pyridin-4-yl]ethanesulfonic acid Traditional Name: 2-[2,3-bis(2-sulfoethyl)-4-pyridyl]ethanesulfonic acid Formula: C11H17NO9S3 MolecularWeight: 403.44898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO9S3/c13-22(14,15)6-2-9-1-5-12-11(4-8-24(19,20)21)10(9)3-7-23(16,17)18/h1,5H,2-4,6-8H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)