[1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-yl] 3-nitrobenzenesulfonate

Systemtic Name: [1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-yl] 3-nitrobenzenesulfonate Openeye Name: (1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl) ester IUPAC Name: (1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (1,1-diketo-4H-1$l^{6},2,4-benzothiadiazin-3-yl) ester Formula: C13H9N3O7S2 MolecularWeight: 383.35646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=NS2(=O)=O)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=NS2(=O)=O)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O7S2/c17-16(18)9-4-3-5-10(8-9)25(21,22)23-13-14-11-6-1-2-7-12(11)24(19,20)15-13/h1-8H,(H,14,15)