hexyl 2-(3,5-dinitrophenyl)carbonyloxy-3,5-bis(oxidanyl)benzoate

Systemtic Name: hexyl 2-(3,5-dinitrophenyl)carbonyloxy-3,5-bis(oxidanyl)benzoate Openeye Name: hexyl 2-(3,5-dinitrobenzoyl)oxy-3,5-dihydroxy-benzoate CAS Name: 2-[(3,5-dinitrophenyl)-oxomethoxy]-3,5-dihydroxybenzoic acid hexyl ester IUPAC Name: hexyl 2-(3,5-dinitrobenzoyl)oxy-3,5-dihydroxybenzoate Traditional Name: 2-(3,5-dinitrobenzoyl)oxy-3,5-dihydroxy-benzoic acid hexyl ester Formula: C20H20N2O10 MolecularWeight: 448.3802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=CC(=C1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O)O

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=CC(=C1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O)O

InChI

InChI=1S/C20H20N2O10/c1-2-3-4-5-6-31-20(26)16-10-15(23)11-17(24)18(16)32-19(25)12-7-13(21(27)28)9-14(8-12)22(29)30/h7-11,23-24H,2-6H2,1H3