[2-[(4-nitrophenyl)methoxymethyl]-3-(phenylcarbonyloxy)-2-(phenylcarbonyloxymethyl)propyl] benzoate

Systemtic Name: [2-[(4-nitrophenyl)methoxymethyl]-3-(phenylcarbonyloxy)-2-(phenylcarbonyloxymethyl)propyl] benzoate Openeye Name: [2,2-bis(benzoyloxymethyl)-3-[(4-nitrophenyl)methoxy]propyl] benzoate CAS Name: benzoic acid [2,2-bis(benzoyloxymethyl)-3-[(4-nitrophenyl)methoxy]propyl] ester IUPAC Name: [2,2-bis(benzoyloxymethyl)-3-[(4-nitrophenyl)methoxy]propyl] benzoate Traditional Name: benzoic acid [2,2-bis(benzoyloxymethyl)-3-(4-nitrobenzyl)oxy-propyl] ester Formula: C33H29NO9 MolecularWeight: 583.58466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(COCC2=CC=C(C=C2)[N+](=O)[O-])(COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(COCC2=CC=C(C=C2)[N+](=O)[O-])(COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C33H29NO9/c35-30(26-10-4-1-5-11-26)41-22-33(23-42-31(36)27-12-6-2-7-13-27,24-43-32(37)28-14-8-3-9-15-28)21-40-20-25-16-18-29(19-17-25)34(38)39/h1-19H,20-24H2