4-nitro-6-[(E)-(4-oxidanidyl-6-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-5-ylidene)methyl]benzene-1,3-diolate

Systemtic Name: 4-nitro-6-[(E)-(4-oxidanidyl-6-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-5-ylidene)methyl]benzene-1,3-diolate Openeye Name: 4-nitro-6-[(E)-(4-oxido-6-oxo-1-phenyl-2-thioxo-pyrimidin-5-ylidene)methyl]benzene-1,3-diolate CAS Name: 4-nitro-6-[(E)-(4-oxido-6-oxo-1-phenyl-2-sulfanylidene-5-pyrimidinylidene)methyl]benzene-1,3-diolate IUPAC Name: 4-nitro-6-[(E)-(4-oxido-6-oxo-1-phenyl-2-sulfanylidenepyrimidin-5-ylidene)methyl]benzene-1,3-diolate Traditional Name: 4-[(E)-(6-keto-4-oxido-1-phenyl-2-thioxo-pyrimidin-5-ylidene)methyl]-6-nitro-benzene-1,3-diolate Formula: C17H8N3O6S-3 MolecularWeight: 382.32692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3[O-])[O-])[N+](=O)[O-])C(=NC2=S)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3[O-])[O-])[N+](=O)[O-])/C(=NC2=S)[O-]

InChI

InChI=1S/C17H11N3O6S/c21-13-8-14(22)12(20(25)26)7-9(13)6-11-15(23)18-17(27)19(16(11)24)10-4-2-1-3-5-10/h1-8,21-22H,(H,18,23,27)/p-3/b11-6+