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

Systemtic Name: 5-(2-chloroethyl)-4-methyl-1,3-thiazole; ethane-1,1-disulfonate Openeye Name: 5-(2-chloroethyl)-4-methyl-thiazole; ethane-1,1-disulfonate CAS Name: 5-(2-chloroethyl)-4-methylthiazole; ethane-1,1-disulfonate IUPAC Name: 5-(2-chloroethyl)-4-methyl-1,3-thiazole; ethane-1,1-disulfonate Traditional Name: 5-(2-chloroethyl)-4-methyl-thiazole; ethane-1,1-disulfonate Formula: C14H20Cl2N2O6S4-2 MolecularWeight: 511.4844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H8ClNS.C2H6O6S2/c2*1-5-6(2-3-7)9-4-8-5;1-2(9(3,4)5)10(6,7)8/h2*4H,2-3H2,1H3;2H,1H3,(H,3,4,5)(H,6,7,8)/p-2