ethyl (2E)-2-[(E)-(3-ethoxysulfonyl-4H-1,3-benzothiazol-3-ium-2-ylidene)hydrazinylidene]-4H-1,3-benzothiazol-3-ium-3-sulfonate

Systemtic Name: ethyl (2E)-2-[(E)-(3-ethoxysulfonyl-4H-1,3-benzothiazol-3-ium-2-ylidene)hydrazinylidene]-4H-1,3-benzothiazol-3-ium-3-sulfonate Openeye Name: ethyl (2E)-2-[(E)-(3-ethoxysulfonyl-4H-1,3-benzothiazol-3-ium-2-ylidene)hydrazono]-4H-1,3-benzothiazol-3-ium-3-sulfonate CAS Name: (2E)-2-[(E)-(3-ethoxysulfonyl-4H-1,3-benzothiazol-3-ium-2-ylidene)hydrazinylidene]-4H-1,3-benzothiazol-3-ium-3-sulfonic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(E)-(3-ethoxysulfonyl-4H-1,3-benzothiazol-3-ium-2-ylidene)hydrazinylidene]-4H-1,3-benzothiazol-3-ium-3-sulfonate Traditional Name: (2E)-2-[(E)-(3-ethoxysulfonyl-4H-1,3-benzothiazol-3-ium-2-ylidene)hydrazono]-4H-1,3-benzothiazol-3-ium-3-sulfonic acid ethyl ester Formula: C18H20N4O6S4+2 MolecularWeight: 516.6346

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)[N+]1=C2CC=CC=C2SC1=NN=C3[N+](=C4CC=CC=C4S3)S(=O)(=O)OCC

Isomeric SMILES

CCOS(=O)(=O)[N+]\1=C2C(=CC=CC2)S/C1=N/N=C\3/SC4=CC=CCC4=[N+]3S(=O)(=O)OCC

InChI

InChI=1S/C18H20N4O6S4/c1-3-27-31(23,24)21-13-9-5-7-11-15(13)29-17(21)19-20-18-22(32(25,26)28-4-2)14-10-6-8-12-16(14)30-18/h5-8,11-12H,3-4,9-10H2,1-2H3/q+2/b19-17+,20-18+