[4,5-bis(oxidanyl)-6-oxidanylidene-cyclodecyl] 2-nitrobenzoate

Systemtic Name: [4,5-bis(oxidanyl)-6-oxidanylidene-cyclodecyl] 2-nitrobenzoate Openeye Name: (4,5-dihydroxy-6-oxo-cyclodecyl) 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (4,5-dihydroxy-6-oxocyclodecyl) ester IUPAC Name: (4,5-dihydroxy-6-oxocyclodecyl) 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (4,5-dihydroxy-6-keto-cyclodecyl) ester Formula: C17H21NO7 MolecularWeight: 351.35114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO7/c19-14-8-4-1-5-11(9-10-15(20)16(14)21)25-17(22)12-6-2-3-7-13(12)18(23)24/h2-3,6-7,11,15-16,20-21H,1,4-5,8-10H2