6,7-bis(chloranyl)-3-nitro-9-oxidanylidene-thioxanthene-1-carboxylic acid

Systemtic Name: 6,7-bis(chloranyl)-3-nitro-9-oxidanylidene-thioxanthene-1-carboxylic acid Openeye Name: 6,7-dichloro-3-nitro-9-oxo-thioxanthene-1-carboxylic acid CAS Name: 6,7-dichloro-3-nitro-9-oxo-1-thioxanthenecarboxylic acid IUPAC Name: 6,7-dichloro-3-nitro-9-oxothioxanthene-1-carboxylic acid Traditional Name: 6,7-dichloro-9-keto-3-nitro-thioxanthene-1-carboxylic acid Formula: C14H5Cl2NO5S MolecularWeight: 370.1642

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1SC3=CC(=C(C=C3C2=O)Cl)Cl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=C1SC3=CC(=C(C=C3C2=O)Cl)Cl)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H5Cl2NO5S/c15-8-3-6-10(4-9(8)16)23-11-2-5(17(21)22)1-7(14(19)20)12(11)13(6)18/h1-4H,(H,19,20)