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

Systemtic Name: 5-(2-chloroethyl)-4-methyl-1,3-thiazole; ethane-1,2-disulfonic acid Openeye Name: 5-(2-chloroethyl)-4-methyl-thiazole; ethane-1,2-disulfonic acid CAS Name: 5-(2-chloroethyl)-4-methylthiazole; ethane-1,2-disulfonic acid IUPAC Name: 5-(2-chloroethyl)-4-methyl-1,3-thiazole; ethane-1,2-disulfonic acid Traditional Name: 5-(2-chloroethyl)-4-methyl-thiazole; ethane-1,2-disulfonic acid Formula: C14H22Cl2N2O6S4 MolecularWeight: 513.50028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCCl.CC1=C(SC=N1)CCCl.C(CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(SC=N1)CCCl.CC1=C(SC=N1)CCCl.C(CS(=O)(=O)O)S(=O)(=O)O

InChI

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