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

Systemtic Name: [2-methyl-3,6-bis[(4-nitrophenyl)carbonyloxy]oxan-4-yl] 4-nitrobenzoate Openeye Name: [2-methyl-3,6-bis[(4-nitrobenzoyl)oxy]tetrahydropyran-4-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-methyl-3,6-bis[(4-nitrophenyl)-oxomethoxy]-4-oxanyl] ester IUPAC Name: [2-methyl-3,6-bis[(4-nitrobenzoyl)oxy]oxan-4-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-methyl-3,6-bis[(4-nitrobenzoyl)oxy]tetrahydropyran-4-yl] ester Formula: C27H21N3O13 MolecularWeight: 595.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC(=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-]

Isomeric SMILES

CC1C(C(CC(O1)OC(=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-]

InChI

InChI=1S/C27H21N3O13/c1-15-24(43-27(33)18-6-12-21(13-7-18)30(38)39)22(41-25(31)16-2-8-19(9-3-16)28(34)35)14-23(40-15)42-26(32)17-4-10-20(11-5-17)29(36)37/h2-13,15,22-24H,14H2,1H3