3-ethyl-2-[(E)-(3-ethyl-6-sulfonato-2H-1,3-benzothiazol-2-yl)diazenyl]-2H-1,3-benzothiazole-6-sulfonate

Systemtic Name: 3-ethyl-2-[(E)-(3-ethyl-6-sulfonato-2H-1,3-benzothiazol-2-yl)diazenyl]-2H-1,3-benzothiazole-6-sulfonate Openeye Name: 3-ethyl-2-[(E)-(3-ethyl-6-sulfonato-2H-1,3-benzothiazol-2-yl)azo]-2H-1,3-benzothiazole-6-sulfonate CAS Name: 3-ethyl-2-[(E)-(3-ethyl-6-sulfonato-2H-1,3-benzothiazol-2-yl)azo]-2H-1,3-benzothiazole-6-sulfonate IUPAC Name: 3-ethyl-2-[(E)-(3-ethyl-6-sulfonato-2H-1,3-benzothiazol-2-yl)diazenyl]-2H-1,3-benzothiazole-6-sulfonate Traditional Name: 3-ethyl-2-[(E)-(3-ethyl-6-sulfonato-2H-1,3-benzothiazol-2-yl)azo]-2H-1,3-benzothiazole-6-sulfonate Formula: C18H18N4O6S4-2 MolecularWeight: 514.61872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(SC2=C1C=CC(=C2)S(=O)(=O)[O-])N=NC3N(C4=C(S3)C=C(C=C4)S(=O)(=O)[O-])CC

Isomeric SMILES

CCN1C(SC2=C1C=CC(=C2)S(=O)(=O)[O-])/N=N/C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)[O-])CC

InChI

InChI=1S/C18H20N4O6S4/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18/h5-10,17-18H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28)/p-2/b20-19+