7-nitro-9,10,10-tris(oxidanylidene)thioxanthene-1-carboxylic acid

Systemtic Name: 7-nitro-9,10,10-tris(oxidanylidene)thioxanthene-1-carboxylic acid Openeye Name: 7-nitro-9,10,10-trioxo-thioxanthene-1-carboxylic acid CAS Name: 7-nitro-9,10,10-trioxo-1-thioxanthenecarboxylic acid IUPAC Name: 7-nitro-9,10,10-trioxothioxanthene-1-carboxylic acid Traditional Name: 9,10,10-triketo-7-nitro-thioxanthene-1-carboxylic acid Formula: C14H7NO7S MolecularWeight: 333.27288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)S(=O)(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1)S(=O)(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

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