ethane-1,1-disulfonate; 5-(2-iodanylethyl)-4-methyl-1,3-thiazole

Systemtic Name: ethane-1,1-disulfonate; 5-(2-iodanylethyl)-4-methyl-1,3-thiazole Openeye Name: ethane-1,1-disulfonate; 5-(2-iodoethyl)-4-methyl-thiazole CAS Name: ethane-1,1-disulfonate; 5-(2-iodoethyl)-4-methylthiazole IUPAC Name: ethane-1,1-disulfonate; 5-(2-iodoethyl)-4-methyl-1,3-thiazole Traditional Name: ethane-1,1-disulfonate; 5-(2-iodoethyl)-4-methyl-thiazole Formula: C8H12INO6S3-2 MolecularWeight: 441.28345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8INS.C2H6O6S2/c1-5-6(2-3-7)9-4-8-5;1-2(9(3,4)5)10(6,7)8/h4H,2-3H2,1H3;2H,1H3,(H,3,4,5)(H,6,7,8)/p-2