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

Systemtic Name: chloranium (6Z)-3-(3-nitrophenyl)-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one Openeye Name: chloronium (6Z)-3-(3-nitrophenyl)-6-[(4-nitrophenyl)methylene]thiazolo[2,3-b]thiazol-4-ium-5-one CAS Name: chloronium (6Z)-3-(3-nitrophenyl)-6-[(4-nitrophenyl)methylidene]-5-thiazolo[2,3-b]thiazol-4-iumone IUPAC Name: chloranium (6Z)-3-(3-nitrophenyl)-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one Traditional Name: chloronium (6Z)-6-(4-nitrobenzylidene)-3-(3-nitrophenyl)thiazolo[2,3-b]thiazol-4-ium-5-one Formula: C18H12ClN3O5S2+2 MolecularWeight: 449.88798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=[N+]2C(=O)C(=CC4=CC=C(C=C4)[N+](=O)[O-])S3.[ClH2+]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=[N+]2C(=O)/C(=C/C4=CC=C(C=C4)[N+](=O)[O-])/S3.[ClH2+]

InChI

InChI=1S/C18H10N3O5S2.ClH2/c22-17-16(8-11-4-6-13(7-5-11)20(23)24)28-18-19(17)15(10-27-18)12-2-1-3-14(9-12)21(25)26;/h1-10H;1H2/q2*+1/b16-8-;