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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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