5-(2-chloroethyl)-1,3-thiazole; ethane-1,1-disulfonate

Systemtic Name: 5-(2-chloroethyl)-1,3-thiazole; ethane-1,1-disulfonate Openeye Name: 5-(2-chloroethyl)thiazole; ethane-1,1-disulfonate CAS Name: 5-(2-chloroethyl)thiazole; ethane-1,1-disulfonate IUPAC Name: 5-(2-chloroethyl)-1,3-thiazole; ethane-1,1-disulfonate Traditional Name: 5-(2-chloroethyl)thiazole; ethane-1,1-disulfonate Formula: C12H16Cl2N2O6S4-2 MolecularWeight: 483.43124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C5H6ClNS.C2H6O6S2/c2*6-2-1-5-3-7-4-8-5;1-2(9(3,4)5)10(6,7)8/h2*3-4H,1-2H2;2H,1H3,(H,3,4,5)(H,6,7,8)/p-2