7-nitro-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylic acid

Systemtic Name: 7-nitro-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylic acid Openeye Name: 7-nitro-9,10,10-trioxo-thioxanthene-3-carboxylic acid CAS Name: 7-nitro-9,10,10-trioxo-3-thioxanthenecarboxylic acid IUPAC Name: 7-nitro-9,10,10-trioxothioxanthene-3-carboxylic acid Traditional Name: 9,10,10-triketo-7-nitro-thioxanthene-3-carboxylic acid Formula: C14H7NO7S MolecularWeight: 333.27288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)S(=O)(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)S(=O)(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H7NO7S/c16-13-9-3-1-7(14(17)18)5-12(9)23(21,22)11-4-2-8(15(19)20)6-10(11)13/h1-6H,(H,17,18)