2-chloranyl-1-(4-methyl-1,3-thiazol-5-yl)ethanol; ethane-1,1-disulfonate

Systemtic Name: 2-chloranyl-1-(4-methyl-1,3-thiazol-5-yl)ethanol; ethane-1,1-disulfonate Openeye Name: 2-chloro-1-(4-methylthiazol-5-yl)ethanol; ethane-1,1-disulfonate CAS Name: 2-chloro-1-(4-methyl-5-thiazolyl)ethanol; ethane-1,1-disulfonate IUPAC Name: 2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol; ethane-1,1-disulfonate Traditional Name: 2-chloro-1-(4-methylthiazol-5-yl)ethanol; ethane-1,1-disulfonate Formula: C8H12ClNO7S3-2 MolecularWeight: 365.83138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)C(CCl)O.CC(S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(SC=N1)C(CCl)O.CC(S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C6H8ClNOS.C2H6O6S2/c1-4-6(5(9)2-7)10-3-8-4;1-2(9(3,4)5)10(6,7)8/h3,5,9H,2H2,1H3;2H,1H3,(H,3,4,5)(H,6,7,8)/p-2