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

Systemtic Name: 5-(2-chloranylpropyl)-4-methyl-1,3-thiazole; ethane-1,1-disulfonate Openeye Name: 5-(2-chloropropyl)-4-methyl-thiazole; ethane-1,1-disulfonate CAS Name: 5-(2-chloropropyl)-4-methylthiazole; ethane-1,1-disulfonate IUPAC Name: 5-(2-chloropropyl)-4-methyl-1,3-thiazole; ethane-1,1-disulfonate Traditional Name: 5-(2-chloropropyl)-4-methyl-thiazole; ethane-1,1-disulfonate Formula: C16H24Cl2N2O6S4-2 MolecularWeight: 539.53756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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