1,8-bis(3-nitrophenyl)octane-1,8-dione

Systemtic Name: 1,8-bis(3-nitrophenyl)octane-1,8-dione Openeye Name: 1,8-bis(3-nitrophenyl)octane-1,8-dione CAS Name: 1,8-bis(3-nitrophenyl)octane-1,8-dione IUPAC Name: 1,8-bis(3-nitrophenyl)octane-1,8-dione Traditional Name: 1,8-bis(3-nitrophenyl)octane-1,8-dione Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CCCCCCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CCCCCCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c23-19(15-7-5-9-17(13-15)21(25)26)11-3-1-2-4-12-20(24)16-8-6-10-18(14-16)22(27)28/h5-10,13-14H,1-4,11-12H2