diazanium (2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate

Systemtic Name: diazanium (2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate Openeye Name: diammonium (2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazono]-1,3-benzothiazole-6-sulfonate CAS Name: diammonium (2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate IUPAC Name: diazanium (2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate Traditional Name: diammonium (2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazono]-1,3-benzothiazole-6-sulfonate Formula: C18H24N6O6S4 MolecularWeight: 548.67976

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])SC1=NN=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)[O-])CC.[NH4+].[NH4+]

Isomeric SMILES

CCN\1C2=C(C=C(C=C2)S(=O)(=O)[O-])S/C1=N/N=C\3/N(C4=C(S3)C=C(C=C4)S(=O)(=O)[O-])CC.[NH4+].[NH4+]

InChI

InChI=1S/C18H18N4O6S4.2H3N/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;;/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28);2*1H3/b19-17-,20-18+;;