[3,4,6-tris[(4-nitrophenyl)carbonyloxy]oxan-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [3,4,6-tris[(4-nitrophenyl)carbonyloxy]oxan-2-yl]methyl 4-nitrobenzoate Openeye Name: [3,4,6-tris[(4-nitrobenzoyl)oxy]tetrahydropyran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3,4,6-tris[(4-nitrophenyl)-oxomethoxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,6-tris[(4-nitrobenzoyl)oxy]oxan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3,4,6-tris[(4-nitrobenzoyl)oxy]tetrahydropyran-2-yl]methyl ester Formula: C34H24N4O17 MolecularWeight: 760.57096

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(OC1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])COC(=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-]

Isomeric SMILES

C1C(C(C(OC1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])COC(=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-]

InChI

InChI=1S/C34H24N4O17/c39-31(19-1-9-23(10-2-19)35(43)44)51-18-28-30(55-34(42)22-7-15-26(16-8-22)38(49)50)27(53-32(40)20-3-11-24(12-4-20)36(45)46)17-29(52-28)54-33(41)21-5-13-25(14-6-21)37(47)48/h1-16,27-30H,17-18H2