Molecule ID: 2831662

IUPAC Name: [3-benzoyl-4-(4-bromo-3-nitrobenzoyl)oxyphenyl] 4-bromo-3-nitrobenzoate

Description: The molecule is a member of the class of benzophenones that is benzophenone substituted by (4-bromo-3-nitrobenzoyl)oxy groups at positions 1 and 4. It is a benzoate ester, an organobromine compound, a C-nitro compound and a member of benzophenones.

SMILES: O=C(Oc1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C(=O)c2ccccc2)c1)c1ccc(Br)c([N+](=O)[O-])c1

SELFIES: [O][=C][Branch2][Branch1][Ring1][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][O][C][=C][C][=C][Branch1][C][Br][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]

InChI: InChI=1S/C27H14Br2N2O9/c28-20-9-6-16(12-22(20)30(35)36)26(33)39-18-8-11-24(19(14-18)25(32)15-4-2-1-3-5-15)40-27(34)17-7-10-21(29)23(13-17)31(37)38/h1-14H

Molecular Properties:
- Polar Surface Area: 161.0 Ų
- LogP: 7.1