ethane-1,2-disulfonic acid; 4-methyl-5-propyl-1,3-thiazole

Systemtic Name: ethane-1,2-disulfonic acid; 4-methyl-5-propyl-1,3-thiazole Openeye Name: ethane-1,2-disulfonic acid; 4-methyl-5-propyl-thiazole CAS Name: ethane-1,2-disulfonic acid; 4-methyl-5-propylthiazole IUPAC Name: ethane-1,2-disulfonic acid; 4-methyl-5-propyl-1,3-thiazole Traditional Name: ethane-1,2-disulfonic acid; 4-methyl-5-propyl-thiazole Formula: C16H28N2O6S4 MolecularWeight: 472.66332

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=CS1)C.CCCC1=C(N=CS1)C.C(CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCC1=C(N=CS1)C.CCCC1=C(N=CS1)C.C(CS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/2C7H11NS.C2H6O6S2/c2*1-3-4-7-6(2)8-5-9-7;3-9(4,5)1-2-10(6,7)8/h2*5H,3-4H2,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)