7-nitro-9,10,10-tris(oxidanylidene)thioxanthene-2-carboxylic acid

Systemtic Name: 7-nitro-9,10,10-tris(oxidanylidene)thioxanthene-2-carboxylic acid Openeye Name: 7-nitro-9,10,10-trioxo-thioxanthene-2-carboxylic acid CAS Name: 7-nitro-9,10,10-trioxo-2-thioxanthenecarboxylic acid IUPAC Name: 7-nitro-9,10,10-trioxothioxanthene-2-carboxylic acid Traditional Name: 9,10,10-triketo-7-nitro-thioxanthene-2-carboxylic acid Formula: C14H7NO7S MolecularWeight: 333.27288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C(=O)C3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C(=O)C3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-]

InChI

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