3-nitro-9-oxidanylidene-thioxanthene-1-carboxylate

Systemtic Name: 3-nitro-9-oxidanylidene-thioxanthene-1-carboxylate Openeye Name: 3-nitro-9-oxo-thioxanthene-1-carboxylate CAS Name: 3-nitro-9-oxo-1-thioxanthenecarboxylate IUPAC Name: 3-nitro-9-oxothioxanthene-1-carboxylate Traditional Name: 9-keto-3-nitro-thioxanthene-1-carboxylate Formula: C14H6NO5S- MolecularWeight: 300.26614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H7NO5S/c16-13-8-3-1-2-4-10(8)21-11-6-7(15(19)20)5-9(12(11)13)14(17)18/h1-6H,(H,17,18)/p-1