2-[2-methyl-6-(2-sulfoethyl)pyridin-4-yl]ethanesulfonic acid

Systemtic Name: 2-[2-methyl-6-(2-sulfoethyl)pyridin-4-yl]ethanesulfonic acid Openeye Name: 2-[2-methyl-6-(2-sulfoethyl)-4-pyridyl]ethanesulfonic acid CAS Name: 2-[2-methyl-6-(2-sulfoethyl)-4-pyridinyl]ethanesulfonic acid IUPAC Name: 2-[2-methyl-6-(2-sulfoethyl)pyridin-4-yl]ethanesulfonic acid Traditional Name: 2-[2-methyl-6-(2-sulfoethyl)-4-pyridyl]ethanesulfonic acid Formula: C10H15NO6S2 MolecularWeight: 309.3592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=C1)CCS(=O)(=O)O)CCS(=O)(=O)O

Isomeric SMILES

CC1=NC(=CC(=C1)CCS(=O)(=O)O)CCS(=O)(=O)O

InChI

InChI=1S/C10H15NO6S2/c1-8-6-9(2-4-18(12,13)14)7-10(11-8)3-5-19(15,16)17/h6-7H,2-5H2,1H3,(H,12,13,14)(H,15,16,17)