[(3S)-8-methoxy-3-(4-nitrophenyl)carbonyloxy-8-oxidanylidene-octyl] 4-nitrobenzoate

Systemtic Name: [(3S)-8-methoxy-3-(4-nitrophenyl)carbonyloxy-8-oxidanylidene-octyl] 4-nitrobenzoate Openeye Name: [(3S)-8-methoxy-3-(4-nitrobenzoyl)oxy-8-oxo-octyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3S)-8-methoxy-3-[(4-nitrophenyl)-oxomethoxy]-8-oxooctyl] ester IUPAC Name: [(3S)-8-methoxy-3-(4-nitrobenzoyl)oxy-8-oxooctyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3S)-8-keto-8-methoxy-3-(4-nitrobenzoyl)oxy-octyl] ester Formula: C23H24N2O10 MolecularWeight: 488.44406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCC[C@@H](CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O10/c1-33-21(26)5-3-2-4-20(35-23(28)17-8-12-19(13-9-17)25(31)32)14-15-34-22(27)16-6-10-18(11-7-16)24(29)30/h6-13,20H,2-5,14-15H2,1H3/t20-/m0/s1