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

Systemtic Name: 5-(2-chloroethyl)-1,3-thiazole; ethane-1,2-disulfonic acid Openeye Name: 5-(2-chloroethyl)thiazole; ethane-1,2-disulfonic acid CAS Name: 5-(2-chloroethyl)thiazole; ethane-1,2-disulfonic acid IUPAC Name: 5-(2-chloroethyl)-1,3-thiazole; ethane-1,2-disulfonic acid Traditional Name: 5-(2-chloroethyl)thiazole; ethane-1,2-disulfonic acid Formula: C12H18Cl2N2O6S4 MolecularWeight: 485.44712

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC=N1)CCCl.C1=C(SC=N1)CCCl.C(CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=C(SC=N1)CCCl.C1=C(SC=N1)CCCl.C(CS(=O)(=O)O)S(=O)(=O)O

InChI

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