ethane-1,2-disulfonic acid; 1-(4-methyl-1,3-thiazol-5-yl)propan-2-ol

Systemtic Name: ethane-1,2-disulfonic acid; 1-(4-methyl-1,3-thiazol-5-yl)propan-2-ol Openeye Name: ethane-1,2-disulfonic acid; 1-(4-methylthiazol-5-yl)propan-2-ol CAS Name: ethane-1,2-disulfonic acid; 1-(4-methyl-5-thiazolyl)-2-propanol IUPAC Name: ethane-1,2-disulfonic acid; 1-(4-methyl-1,3-thiazol-5-yl)propan-2-ol Traditional Name: ethane-1,2-disulfonic acid; 1-(4-methylthiazol-5-yl)propan-2-ol Formula: C16H28N2O8S4 MolecularWeight: 504.66212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H11NOS.C2H6O6S2/c2*1-5(9)3-7-6(2)8-4-10-7;3-9(4,5)1-2-10(6,7)8/h2*4-5,9H,3H2,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)