ethane-1,2-disulfonic acid; 5-ethyl-4-phenyl-1,3-thiazole

Systemtic Name: ethane-1,2-disulfonic acid; 5-ethyl-4-phenyl-1,3-thiazole Openeye Name: ethane-1,2-disulfonic acid; 5-ethyl-4-phenyl-thiazole CAS Name: ethane-1,2-disulfonic acid; 5-ethyl-4-phenylthiazole IUPAC Name: ethane-1,2-disulfonic acid; 5-ethyl-4-phenyl-1,3-thiazole Traditional Name: ethane-1,2-disulfonic acid; 5-ethyl-4-phenyl-thiazole Formula: C13H17NO6S3 MolecularWeight: 379.47218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=CS1)C2=CC=CC=C2.C(CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC1=C(N=CS1)C2=CC=CC=C2.C(CS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H11NS.C2H6O6S2/c1-2-10-11(12-8-13-10)9-6-4-3-5-7-9;3-9(4,5)1-2-10(6,7)8/h3-8H,2H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)