bis(4-nitrophenyl) (1S,2S,3R,4S,5S,6R,7S,8S)-2,3-dimethylcubane-1,4-dicarboxylate

Systemtic Name: bis(4-nitrophenyl) (1S,2S,3R,4S,5S,6R,7S,8S)-2,3-dimethylcubane-1,4-dicarboxylate Openeye Name: bis(4-nitrophenyl) (1S,2S,3R,4S,5S,6R,7S,8S)-2,3-dimethylcubane-1,4-dicarboxylate CAS Name: (1S,2S,3R,4S,5S,6R,7S,8S)-2,3-dimethylcubane-1,4-dicarboxylic acid bis(4-nitrophenyl) ester IUPAC Name: bis(4-nitrophenyl) (1S,2S,3R,4S,5S,6R,7S,8S)-2,3-dimethylcubane-1,4-dicarboxylate Traditional Name: (1S,2S,3R,4S,5S,6R,7S,8S)-2,3-dimethylcubane-1,4-dicarboxylic acid bis(4-nitrophenyl) ester Formula: C24H18N2O8 MolecularWeight: 462.40832

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3C4C1(C5C4C3(C25C)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-])C(=O)OC7=CC=C(C=C7)[N+](=O)[O-]

Isomeric SMILES

C[C@@]12[C@@H]3[C@@H]4[C@@]1([C@H]5[C@H]4[C@]3([C@@]25C)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-])C(=O)OC7=CC=C(C=C7)[N+](=O)[O-]

InChI

InChI=1S/C24H18N2O8/c1-21-17-15-16-18(23(15,21)19(27)33-13-7-3-11(4-8-13)25(29)30)22(21,2)24(16,17)20(28)34-14-9-5-12(6-10-14)26(31)32/h3-10,15-18H,1-2H3/t15-,16+,17-,18-,21+,22-,23+,24+/m0/s1