2-[4,5-bis(2-sulfoethyl)pyridin-3-yl]ethanesulfonic acid

Systemtic Name: 2-[4,5-bis(2-sulfoethyl)pyridin-3-yl]ethanesulfonic acid Openeye Name: 2-[4,5-bis(2-sulfoethyl)-3-pyridyl]ethanesulfonic acid CAS Name: 2-[4,5-bis(2-sulfoethyl)-3-pyridinyl]ethanesulfonic acid IUPAC Name: 2-[4,5-bis(2-sulfoethyl)pyridin-3-yl]ethanesulfonic acid Traditional Name: 2-[4,5-bis(2-sulfoethyl)-3-pyridyl]ethanesulfonic acid Formula: C11H17NO9S3 MolecularWeight: 403.44898

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C=N1)CCS(=O)(=O)O)CCS(=O)(=O)O)CCS(=O)(=O)O

Isomeric SMILES

C1=C(C(=C(C=N1)CCS(=O)(=O)O)CCS(=O)(=O)O)CCS(=O)(=O)O

InChI

InChI=1S/C11H17NO9S3/c13-22(14,15)4-1-9-7-12-8-10(2-5-23(16,17)18)11(9)3-6-24(19,20)21/h7-8H,1-6H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)