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

Systemtic Name: [6-methoxy-3,4,5-tris[(4-nitrophenyl)carbonyloxy]oxan-2-yl]methyl 4-nitrobenzoate Openeye Name: [6-methoxy-3,4,5-tris[(4-nitrobenzoyl)oxy]tetrahydropyran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [6-methoxy-3,4,5-tris[(4-nitrophenyl)-oxomethoxy]-2-oxanyl]methyl ester IUPAC Name: [6-methoxy-3,4,5-tris[(4-nitrobenzoyl)oxy]oxan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [6-methoxy-3,4,5-tris[(4-nitrobenzoyl)oxy]tetrahydropyran-2-yl]methyl ester Formula: C35H26N4O18 MolecularWeight: 790.59694

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])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-]

Isomeric SMILES

COC1C(C(C(C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])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-]

InChI

InChI=1S/C35H26N4O18/c1-52-35-30(57-34(43)22-8-16-26(17-9-22)39(50)51)29(56-33(42)21-6-14-25(15-7-21)38(48)49)28(55-32(41)20-4-12-24(13-5-20)37(46)47)27(54-35)18-53-31(40)19-2-10-23(11-3-19)36(44)45/h2-17,27-30,35H,18H2,1H3