tetrahexyl 3-(3-nitrophenyl)-1,5-bis(oxidanylidene)pentane-1,2,4,5-tetracarboxylate

Systemtic Name: tetrahexyl 3-(3-nitrophenyl)-1,5-bis(oxidanylidene)pentane-1,2,4,5-tetracarboxylate Openeye Name: tetrahexyl 3-(3-nitrophenyl)-1,5-dioxo-pentane-1,2,4,5-tetracarboxylate CAS Name: 3-(3-nitrophenyl)-1,5-dioxopentane-1,2,4,5-tetracarboxylic acid tetrahexyl ester IUPAC Name: tetrahexyl 3-(3-nitrophenyl)-1,5-dioxopentane-1,2,4,5-tetracarboxylate Traditional Name: 1,5-diketo-3-(3-nitrophenyl)pentane-1,2,4,5-tetracarboxylic acid tetrahexyl ester Formula: C39H59NO12 MolecularWeight: 733.88526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C(C1=CC(=CC=C1)[N+](=O)[O-])C(C(=O)C(=O)OCCCCCC)C(=O)OCCCCCC)C(=O)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)C(C(C1=CC(=CC=C1)[N+](=O)[O-])C(C(=O)C(=O)OCCCCCC)C(=O)OCCCCCC)C(=O)C(=O)OCCCCCC

InChI

InChI=1S/C39H59NO12/c1-5-9-13-17-24-49-36(43)32(34(41)38(45)51-26-19-15-11-7-3)31(29-22-21-23-30(28-29)40(47)48)33(37(44)50-25-18-14-10-6-2)35(42)39(46)52-27-20-16-12-8-4/h21-23,28,31-33H,5-20,24-27H2,1-4H3