4-bromanyl-2-nitro-indene-1,3-dione trihydrate

Systemtic Name: 4-bromanyl-2-nitro-indene-1,3-dione trihydrate Openeye Name: 4-bromo-2-nitro-indane-1,3-dione trihydrate CAS Name: 4-bromo-2-nitroindene-1,3-dione trihydrate IUPAC Name: 4-bromo-2-nitroindene-1,3-dione trihydrate Traditional Name: 4-bromo-2-nitro-indane-1,3-quinone trihydrate Formula: C9H10BrNO7 MolecularWeight: 324.0822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Br)C(=O)C(C2=O)[N+](=O)[O-].O.O.O

Isomeric SMILES

C1=CC2=C(C(=C1)Br)C(=O)C(C2=O)[N+](=O)[O-].O.O.O

InChI

InChI=1S/C9H4BrNO4.3H2O/c10-5-3-1-2-4-6(5)9(13)7(8(4)12)11(14)15;;;/h1-3,7H;3*1H2