ethane-1,2-disulfonic acid; 4-methyl-5-propan-2-yl-1,3-thiazole; hydrate

Systemtic Name: ethane-1,2-disulfonic acid; 4-methyl-5-propan-2-yl-1,3-thiazole; hydrate Openeye Name: ethane-1,2-disulfonic acid; 5-isopropyl-4-methyl-thiazole; hydrate CAS Name: ethane-1,2-disulfonic acid; 4-methyl-5-propan-2-ylthiazole; hydrate IUPAC Name: ethane-1,2-disulfonic acid; 4-methyl-5-propan-2-yl-1,3-thiazole; hydrate Traditional Name: ethane-1,2-disulfonic acid; 5-isopropyl-4-methyl-thiazole; hydrate Formula: C9H19NO7S3 MolecularWeight: 349.44466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11NS.C2H6O6S2.H2O/c1-5(2)7-6(3)8-4-9-7;3-9(4,5)1-2-10(6,7)8;/h4-5H,1-3H3;1-2H2,(H,3,4,5)(H,6,7,8);1H2