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

Systemtic Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole iodide Openeye Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole iodide CAS Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole iodide IUPAC Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole iodide Traditional Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole iodide Formula: C21H19IN4O4S2 MolecularWeight: 582.43443

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=CC=CC3=[N+](C4=C(S3)C=C(C=C4)[N+](=O)[O-])CC.[I-]

Isomeric SMILES

CCN\1C2=C(C=C(C=C2)[N+](=O)[O-])S/C1=C\C=C\C3=[N+](C4=C(S3)C=C(C=C4)[N+](=O)[O-])CC.[I-]

InChI

InChI=1S/C21H19N4O4S2.HI/c1-3-22-16-10-8-14(24(26)27)12-18(16)30-20(22)6-5-7-21-23(4-2)17-11-9-15(25(28)29)13-19(17)31-21;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1