dioctadecyl 2,4-diethanoyl-3-(3-nitrophenyl)pentanedioate

Systemtic Name: dioctadecyl 2,4-diethanoyl-3-(3-nitrophenyl)pentanedioate Openeye Name: dioctadecyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate CAS Name: 2,4-diacetyl-3-(3-nitrophenyl)pentanedioic acid dioctadecyl ester IUPAC Name: dioctadecyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate Traditional Name: 2,4-diacetyl-3-(3-nitrophenyl)glutaric acid distearyl ester Formula: C51H87NO8 MolecularWeight: 842.23838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C(C1=CC(=CC=C1)[N+](=O)[O-])C(C(=O)C)C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C(C1=CC(=CC=C1)[N+](=O)[O-])C(C(=O)C)C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)C

InChI

InChI=1S/C51H87NO8/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-59-50(55)47(43(3)53)49(45-38-37-39-46(42-45)52(57)58)48(44(4)54)51(56)60-41-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37-39,42,47-49H,5-36,40-41H2,1-4H3