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

Systemtic Name: 5-chloranyl-2-[3-(5-chloranyl-3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-6-nitro-1,3-benzothiazole Openeye Name: 5-chloro-2-[3-(5-chloro-3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-6-nitro-1,3-benzothiazole CAS Name: 5-chloro-2-[3-(5-chloro-3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-6-nitro-1,3-benzothiazole IUPAC Name: 5-chloro-2-[3-(5-chloro-3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-6-nitro-1,3-benzothiazole Traditional Name: 5-chloro-2-[3-(5-chloro-3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-6-nitro-1,3-benzothiazole Formula: C21H17Cl2N4O4S2+ MolecularWeight: 524.42008

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H17Cl2N4O4S2/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/q+1