7-nitro-5,10-bis(oxidanylidene)thianthrene-1-carboxylic acid

Systemtic Name: 7-nitro-5,10-bis(oxidanylidene)thianthrene-1-carboxylic acid Openeye Name: 7-nitro-5,10-dioxo-thianthrene-1-carboxylic acid CAS Name: 7-nitro-5,10-dioxo-1-thianthrenecarboxylic acid IUPAC Name: 7-nitro-5,10-dioxothianthrene-1-carboxylic acid Traditional Name: 5,10-diketo-7-nitro-thianthrene-1-carboxylic acid Formula: C13H7NO6S2 MolecularWeight: 337.32778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7NO6S2/c15-13(16)8-2-1-3-10-12(8)22(20)9-5-4-7(14(17)18)6-11(9)21(10)19/h1-6H,(H,15,16)