(2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxidanylidene-6-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-6-phenyl-2-(2-pyridin-1-ium-1-ylethanoylhydrazinylidene)hexanamide chloride

Systemtic Name: (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxidanylidene-6-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-6-phenyl-2-(2-pyridin-1-ium-1-ylethanoylhydrazinylidene)hexanamide chloride Openeye Name: (2E)-6-(2-hydroxy-4-oxo-chromen-3-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-6-phenyl-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]hexanamide chloride CAS Name: (2E)-6-(2-hydroxy-4-oxo-1-benzopyran-3-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-2-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]hydrazinylidene]-6-phenylhexanamide chloride IUPAC Name: (2E)-6-(2-hydroxy-4-oxochromen-3-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-6-phenyl-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]hexanamide chloride Traditional Name: (2E)-6-(2-hydroxy-4-keto-chromen-3-yl)-4-keto-N-(6-nitro-1,3-benzothiazol-2-yl)-6-phenyl-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]hexanamide chloride Formula: C35H27ClN6O8S MolecularWeight: 727.14228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)CC(=NNC(=O)C[N+]2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=C(OC6=CC=CC=C6C5=O)O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)C/C(=N\NC(=O)C[N+]2=CC=CC=C2)/C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=C(OC6=CC=CC=C6C5=O)O.[Cl-]

InChI

InChI=1S/C35H26N6O8S.ClH/c42-23(18-25(21-9-3-1-4-10-21)31-32(44)24-11-5-6-12-28(24)49-34(31)46)19-27(38-39-30(43)20-40-15-7-2-8-16-40)33(45)37-35-36-26-14-13-22(41(47)48)17-29(26)50-35;/h1-17,25H,18-20H2,(H2-,36,37,39,43,44,45,46);1H