5-(chloromethyl)-1,3-thiazole; ethane-1,1-disulfonate

Systemtic Name: 5-(chloromethyl)-1,3-thiazole; ethane-1,1-disulfonate Openeye Name: 5-(chloromethyl)thiazole; ethane-1,1-disulfonate CAS Name: 5-(chloromethyl)thiazole; ethane-1,1-disulfonate IUPAC Name: 5-(chloromethyl)-1,3-thiazole; ethane-1,1-disulfonate Traditional Name: 5-(chloromethyl)thiazole; ethane-1,1-disulfonate Formula: C10H12Cl2N2O6S4-2 MolecularWeight: 455.37808

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Descriptors Computed from Structure

Canonical SMILES:

CC(S(=O)(=O)[O-])S(=O)(=O)[O-].C1=C(SC=N1)CCl.C1=C(SC=N1)CCl

Isomeric SMILES

CC(S(=O)(=O)[O-])S(=O)(=O)[O-].C1=C(SC=N1)CCl.C1=C(SC=N1)CCl

InChI

InChI=1S/2C4H4ClNS.C2H6O6S2/c2*5-1-4-2-6-3-7-4;1-2(9(3,4)5)10(6,7)8/h2*2-3H,1H2;2H,1H3,(H,3,4,5)(H,6,7,8)/p-2