methyl 3,5-dinitro-2-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl]oxy-benzoate

Systemtic Name: methyl 3,5-dinitro-2-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl]oxy-benzoate Openeye Name: methyl 3,5-dinitro-2-[(2S,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]oxy-benzoate CAS Name: 3,5-dinitro-2-[[(2S,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)-2-oxanyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 3,5-dinitro-2-[(2S,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxybenzoate Traditional Name: 3,5-dinitro-2-[(2S,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]oxy-benzoic acid methyl ester Formula: C42H32N2O16 MolecularWeight: 820.70728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1OC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C42H32N2O16/c1-54-41(49)30-22-29(43(50)51)23-31(44(52)53)33(30)60-42-36(59-40(48)28-20-12-5-13-21-28)35(58-39(47)27-18-10-4-11-19-27)34(57-38(46)26-16-8-3-9-17-26)32(56-42)24-55-37(45)25-14-6-2-7-15-25/h2-23,32,34-36,42H,24H2,1H3/t32-,34+,35+,36-,42+/m1/s1