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

Systemtic Name: ethane-1,2-disulfonic acid; 5-ethyl-4-phenyl-1,3-oxazole Openeye Name: ethane-1,2-disulfonic acid; 5-ethyl-4-phenyl-oxazole CAS Name: ethane-1,2-disulfonic acid; 5-ethyl-4-phenyloxazole IUPAC Name: ethane-1,2-disulfonic acid; 5-ethyl-4-phenyl-1,3-oxazole Traditional Name: ethane-1,2-disulfonic acid; 5-ethyl-4-phenyl-oxazole Formula: C24H28N2O8S2 MolecularWeight: 536.61772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=CO1)C2=CC=CC=C2.CCC1=C(N=CO1)C2=CC=CC=C2.C(CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC1=C(N=CO1)C2=CC=CC=C2.CCC1=C(N=CO1)C2=CC=CC=C2.C(CS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/2C11H11NO.C2H6O6S2/c2*1-2-10-11(12-8-13-10)9-6-4-3-5-7-9;3-9(4,5)1-2-10(6,7)8/h2*3-8H,2H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)