[3-[4-[3-(3-nitrophenyl)carbonyloxy-2-oxidanyl-propoxy]phenoxy]-2-oxidanyl-propyl] 3-nitrobenzoate

Systemtic Name: [3-[4-[3-(3-nitrophenyl)carbonyloxy-2-oxidanyl-propoxy]phenoxy]-2-oxidanyl-propyl] 3-nitrobenzoate Openeye Name: [2-hydroxy-3-[4-[2-hydroxy-3-(3-nitrobenzoyl)oxy-propoxy]phenoxy]propyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-hydroxy-3-[4-[2-hydroxy-3-[(3-nitrophenyl)-oxomethoxy]propoxy]phenoxy]propyl] ester IUPAC Name: [2-hydroxy-3-[4-[2-hydroxy-3-(3-nitrobenzoyl)oxypropoxy]phenoxy]propyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-hydroxy-3-[4-[2-hydroxy-3-(3-nitrobenzoyl)oxy-propoxy]phenoxy]propyl] ester Formula: C26H24N2O12 MolecularWeight: 556.47496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(COC2=CC=C(C=C2)OCC(COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(COC2=CC=C(C=C2)OCC(COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])O)O

InChI

InChI=1S/C26H24N2O12/c29-21(15-39-25(31)17-3-1-5-19(11-17)27(33)34)13-37-23-7-9-24(10-8-23)38-14-22(30)16-40-26(32)18-4-2-6-20(12-18)28(35)36/h1-12,21-22,29-30H,13-16H2