6-(4-nitrophenyl)carbonyloxyhexa-2,4-diynyl 4-nitrobenzoate

Systemtic Name: 6-(4-nitrophenyl)carbonyloxyhexa-2,4-diynyl 4-nitrobenzoate Openeye Name: 6-(4-nitrobenzoyl)oxyhexa-2,4-diynyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 6-[(4-nitrophenyl)-oxomethoxy]hexa-2,4-diynyl ester IUPAC Name: 6-(4-nitrobenzoyl)oxyhexa-2,4-diynyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 6-(4-nitrobenzoyl)oxyhexa-2,4-diynyl ester Formula: C20H12N2O8 MolecularWeight: 408.31788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC#CC#CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC#CC#CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H12N2O8/c23-19(15-5-9-17(10-6-15)21(25)26)29-13-3-1-2-4-14-30-20(24)16-7-11-18(12-8-16)22(27)28/h5-12H,13-14H2