[5-(4-nitrophenyl)carbonyloxy-2,3,4-tris(phenylmethoxy)pentyl] 4-nitrobenzoate

Systemtic Name: [5-(4-nitrophenyl)carbonyloxy-2,3,4-tris(phenylmethoxy)pentyl] 4-nitrobenzoate Openeye Name: [2,3,4-tribenzyloxy-5-(4-nitrobenzoyl)oxy-pentyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-[(4-nitrophenyl)-oxomethoxy]-2,3,4-tris(phenylmethoxy)pentyl] ester IUPAC Name: [5-(4-nitrobenzoyl)oxy-2,3,4-tris(phenylmethoxy)pentyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2,3,4-tribenzoxy-5-(4-nitrobenzoyl)oxy-pentyl] ester Formula: C40H36N2O11 MolecularWeight: 720.72064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C(COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC(COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C(COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C40H36N2O11/c43-39(32-16-20-34(21-17-32)41(45)46)52-27-36(49-24-29-10-4-1-5-11-29)38(51-26-31-14-8-3-9-15-31)37(50-25-30-12-6-2-7-13-30)28-53-40(44)33-18-22-35(23-19-33)42(47)48/h1-23,36-38H,24-28H2