[3,4,5-tris[(4-nitrophenyl)carbonyloxy]oxolan-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [3,4,5-tris[(4-nitrophenyl)carbonyloxy]oxolan-2-yl]methyl 4-nitrobenzoate Openeye Name: [3,4,5-tris[(4-nitrobenzoyl)oxy]tetrahydrofuran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3,4,5-tris[(4-nitrophenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [3,4,5-tris[(4-nitrobenzoyl)oxy]oxolan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3,4,5-tris[(4-nitrobenzoyl)oxy]tetrahydrofuran-2-yl]methyl ester Formula: C33H22N4O17 MolecularWeight: 746.54438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2C(C(C(O2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2C(C(C(O2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C33H22N4O17/c38-29(18-1-9-22(10-2-18)34(42)43)50-17-26-27(52-30(39)19-3-11-23(12-4-19)35(44)45)28(53-31(40)20-5-13-24(14-6-20)36(46)47)33(51-26)54-32(41)21-7-15-25(16-8-21)37(48)49/h1-16,26-28,33H,17H2