(6Z)-3-[3,4-bis(oxidanyl)phenyl]-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one chloride

Systemtic Name: (6Z)-3-[3,4-bis(oxidanyl)phenyl]-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one chloride Openeye Name: (6Z)-3-(3,4-dihydroxyphenyl)-6-[(4-nitrophenyl)methylene]thiazolo[2,3-b]thiazol-4-ium-5-one chloride CAS Name: (6Z)-3-(3,4-dihydroxyphenyl)-6-[(4-nitrophenyl)methylidene]-5-thiazolo[2,3-b]thiazol-4-iumone chloride IUPAC Name: (6Z)-3-(3,4-dihydroxyphenyl)-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one chloride Traditional Name: (6Z)-3-(3,4-dihydroxyphenyl)-6-(4-nitrobenzylidene)thiazolo[2,3-b]thiazol-4-ium-5-one chloride Formula: C18H11ClN2O5S2 MolecularWeight: 434.87334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)[N+]3=C(S2)SC=C3C4=CC(=C(C=C4)O)O)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC(=CC=C1/C=C\2/C(=O)[N+]3=C(S2)SC=C3C4=CC(=C(C=C4)O)O)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C18H10N2O5S2.ClH/c21-14-6-3-11(8-15(14)22)13-9-26-18-19(13)17(23)16(27-18)7-10-1-4-12(5-2-10)20(24)25;/h1-9H,(H-,21,22);1H/b16-7-;