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

Systemtic Name: 5-(2-chloroethyl)-2,4-dimethyl-1,3-thiazole; ethane-1,2-disulfonate Openeye Name: 5-(2-chloroethyl)-2,4-dimethyl-thiazole; ethane-1,2-disulfonate CAS Name: 5-(2-chloroethyl)-2,4-dimethylthiazole; ethane-1,2-disulfonate IUPAC Name: 5-(2-chloroethyl)-2,4-dimethyl-1,3-thiazole; ethane-1,2-disulfonate Traditional Name: 5-(2-chloroethyl)-2,4-dimethyl-thiazole; ethane-1,2-disulfonate Formula: C16H24Cl2N2O6S4-2 MolecularWeight: 539.53756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H10ClNS.C2H6O6S2/c2*1-5-7(3-4-8)10-6(2)9-5;3-9(4,5)1-2-10(6,7)8/h2*3-4H2,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)/p-2