[2-(4-nitrophenyl)carbonyloxy-3-tetradecanoyloxy-propyl] 4-nitrobenzoate

Systemtic Name: [2-(4-nitrophenyl)carbonyloxy-3-tetradecanoyloxy-propyl] 4-nitrobenzoate Openeye Name: [2-(4-nitrobenzoyl)oxy-3-tetradecanoyloxy-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(4-nitrophenyl)-oxomethoxy]-3-(1-oxotetradecoxy)propyl] ester IUPAC Name: [2-(4-nitrobenzoyl)oxy-3-tetradecanoyloxypropyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(4-nitrobenzoyl)oxy-3-tetradecanoyloxy-propyl] ester Formula: C31H40N2O10 MolecularWeight: 600.6567

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C31H40N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-29(34)41-22-28(43-31(36)25-16-20-27(21-17-25)33(39)40)23-42-30(35)24-14-18-26(19-15-24)32(37)38/h14-21,28H,2-13,22-23H2,1H3