[2-[2-(3,5-dinitrophenyl)carbonyloxyphenyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [2-[2-(3,5-dinitrophenyl)carbonyloxyphenyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [2-[2-(3,5-dinitrobenzoyl)oxyphenyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-[2-[(3,5-dinitrophenyl)-oxomethoxy]phenyl]phenyl] ester IUPAC Name: [2-[2-(3,5-dinitrobenzoyl)oxyphenyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-[2-(3,5-dinitrobenzoyl)oxyphenyl]phenyl] ester Formula: C26H14N4O12 MolecularWeight: 574.40896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H14N4O12/c31-25(15-9-17(27(33)34)13-18(10-15)28(35)36)41-23-7-3-1-5-21(23)22-6-2-4-8-24(22)42-26(32)16-11-19(29(37)38)14-20(12-16)30(39)40/h1-14H