2-[5-(2-chloranyl-1-oxidanyl-ethyl)-4-methyl-1,3-thiazol-2-yl]ethane-1,1-disulfonic acid

Systemtic Name: 2-[5-(2-chloranyl-1-oxidanyl-ethyl)-4-methyl-1,3-thiazol-2-yl]ethane-1,1-disulfonic acid Openeye Name: 2-[5-(2-chloro-1-hydroxy-ethyl)-4-methyl-thiazol-2-yl]ethane-1,1-disulfonic acid CAS Name: 2-[5-(2-chloro-1-hydroxyethyl)-4-methyl-2-thiazolyl]ethane-1,1-disulfonic acid IUPAC Name: 2-[5-(2-chloro-1-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethane-1,1-disulfonic acid Traditional Name: 2-[5-(2-chloro-1-hydroxy-ethyl)-4-methyl-thiazol-2-yl]ethane-1,1-disulfonic acid Formula: C8H12ClNO7S3 MolecularWeight: 365.83138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC(S(=O)(=O)O)S(=O)(=O)O)C(CCl)O

Isomeric SMILES

CC1=C(SC(=N1)CC(S(=O)(=O)O)S(=O)(=O)O)C(CCl)O

InChI

InChI=1S/C8H12ClNO7S3/c1-4-8(5(11)3-9)18-6(10-4)2-7(19(12,13)14)20(15,16)17/h5,7,11H,2-3H2,1H3,(H,12,13,14)(H,15,16,17)