(2Z)-5-chloranyl-2-[(E)-3-(5-chloranyl-3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-6-nitro-1,3-benzothiazole iodide

Systemtic Name: (2Z)-5-chloranyl-2-[(E)-3-(5-chloranyl-3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-6-nitro-1,3-benzothiazole iodide Openeye Name: (2Z)-5-chloro-2-[(E)-3-(5-chloro-3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-6-nitro-1,3-benzothiazole iodide CAS Name: (2Z)-5-chloro-2-[(E)-3-(5-chloro-3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-6-nitro-1,3-benzothiazole iodide IUPAC Name: (2Z)-5-chloro-2-[(E)-3-(5-chloro-3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-6-nitro-1,3-benzothiazole iodide Traditional Name: (2Z)-5-chloro-2-[(E)-3-(5-chloro-3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-6-nitro-1,3-benzothiazole iodide Formula: C21H17Cl2IN4O4S2 MolecularWeight: 651.32455

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2SC1=CC=CC3=[N+](C4=CC(=C(C=C4S3)[N+](=O)[O-])Cl)CC)[N+](=O)[O-])Cl.[I-]

Isomeric SMILES

CCN\1C2=CC(=C(C=C2S/C1=C\C=C\C3=[N+](C4=CC(=C(C=C4S3)[N+](=O)[O-])Cl)CC)[N+](=O)[O-])Cl.[I-]

InChI

InChI=1S/C21H17Cl2N4O4S2.HI/c1-3-24-16-8-12(22)14(26(28)29)10-18(16)32-20(24)6-5-7-21-25(4-2)17-9-13(23)15(27(30)31)11-19(17)33-21;/h5-11H,3-4H2,1-2H3;1H/q+1;/p-1