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

Systemtic Name: 5-(3-chloranylpropyl)-4-methyl-1,3-thiazole; ethane-1,2-disulfonic acid Openeye Name: 5-(3-chloropropyl)-4-methyl-thiazole; ethane-1,2-disulfonic acid CAS Name: 5-(3-chloropropyl)-4-methylthiazole; ethane-1,2-disulfonic acid IUPAC Name: 5-(3-chloropropyl)-4-methyl-1,3-thiazole; ethane-1,2-disulfonic acid Traditional Name: 5-(3-chloropropyl)-4-methyl-thiazole; ethane-1,2-disulfonic acid Formula: C16H26Cl2N2O6S4 MolecularWeight: 541.55344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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