(4-nitrophenyl) 3,5-dinitro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-benzoate

Systemtic Name: (4-nitrophenyl) 3,5-dinitro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-benzoate Openeye Name: (4-nitrophenyl) 3,5-dinitro-2-[(2R,3R,4S,5R,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-benzoate CAS Name: 3,5-dinitro-2-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3,5-dinitro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybenzoate Traditional Name: 3,5-dinitro-2-[(2R,3R,4S,5R,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-benzoic acid (4-nitrophenyl) ester Formula: C47H41N3O14 MolecularWeight: 871.84014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(C(O2)OC3=C(C=C(C=C3C(=O)OC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC3=C(C=C(C=C3C(=O)OC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C47H41N3O14/c51-46(62-38-23-21-36(22-24-38)48(52)53)39-25-37(49(54)55)26-40(50(56)57)42(39)64-47-45(61-30-35-19-11-4-12-20-35)44(60-29-34-17-9-3-10-18-34)43(59-28-33-15-7-2-8-16-33)41(63-47)31-58-27-32-13-5-1-6-14-32/h1-26,41,43-45,47H,27-31H2/t41-,43-,44+,45-,47-/m1/s1