(6-oxidanylidenecyclodecyl) 2-nitro-4,5-bis(oxidanyl)benzoate

Systemtic Name: (6-oxidanylidenecyclodecyl) 2-nitro-4,5-bis(oxidanyl)benzoate Openeye Name: (6-oxocyclodecyl) 4,5-dihydroxy-2-nitro-benzoate CAS Name: 4,5-dihydroxy-2-nitrobenzoic acid (6-oxocyclodecyl) ester IUPAC Name: (6-oxocyclodecyl) 4,5-dihydroxy-2-nitrobenzoate Traditional Name: 4,5-dihydroxy-2-nitro-benzoic acid (6-ketocyclodecyl) ester Formula: C17H21NO7 MolecularWeight: 351.35114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)CCCCC(C1)OC(=O)C2=CC(=C(C=C2[N+](=O)[O-])O)O

Isomeric SMILES

C1CCC(=O)CCCCC(C1)OC(=O)C2=CC(=C(C=C2[N+](=O)[O-])O)O

InChI

InChI=1S/C17H21NO7/c19-11-5-1-3-7-12(8-4-2-6-11)25-17(22)13-9-15(20)16(21)10-14(13)18(23)24/h9-10,12,20-21H,1-8H2