1,2-bis[4-[2-(4-nitrophenyl)ethynyl]phenyl]ethane-1,2-dione

Systemtic Name: 1,2-bis[4-[2-(4-nitrophenyl)ethynyl]phenyl]ethane-1,2-dione Openeye Name: 1,2-bis[4-[2-(4-nitrophenyl)ethynyl]phenyl]ethane-1,2-dione CAS Name: 1,2-bis[4-[2-(4-nitrophenyl)ethynyl]phenyl]ethane-1,2-dione IUPAC Name: 1,2-bis[4-[2-(4-nitrophenyl)ethynyl]phenyl]ethane-1,2-dione Traditional Name: 1,2-bis[4-[2-(4-nitrophenyl)ethynyl]phenyl]ethane-1,2-dione Formula: C30H16N2O6 MolecularWeight: 500.45784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=O)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=O)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H16N2O6/c33-29(25-13-5-21(6-14-25)1-3-23-9-17-27(18-10-23)31(35)36)30(34)26-15-7-22(8-16-26)2-4-24-11-19-28(20-12-24)32(37)38/h5-20H