[(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[4-[2-(4-nitrophenyl)ethoxy]-2-oxidanylidene-pyrimidin-1-yl]-4-oxidanyl-oxolan-3-yl] 2-(4-nitrophenyl)ethanesulfonate

Systemtic Name: [(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[4-[2-(4-nitrophenyl)ethoxy]-2-oxidanylidene-pyrimidin-1-yl]-4-oxidanyl-oxolan-3-yl] 2-(4-nitrophenyl)ethanesulfonate Openeye Name: [(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-5-[4-[2-(4-nitrophenyl)ethoxy]-2-oxo-pyrimidin-1-yl]tetrahydrofuran-3-yl] 2-(4-nitrophenyl)ethanesulfonate CAS Name: 2-(4-nitrophenyl)ethanesulfonic acid [(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-5-[4-[2-(4-nitrophenyl)ethoxy]-2-oxo-1-pyrimidinyl]-3-oxolanyl] ester IUPAC Name: [(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-5-[4-[2-(4-nitrophenyl)ethoxy]-2-oxopyrimidin-1-yl]oxolan-3-yl] 2-(4-nitrophenyl)ethanesulfonate Traditional Name: 2-(4-nitrophenyl)ethanesulfonic acid [(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-5-[2-keto-4-[2-(4-nitrophenyl)ethoxy]pyrimidin-1-yl]tetrahydrofuran-3-yl] ester Formula: C46H44N4O14S MolecularWeight: 908.92496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(C(O4)N5C=CC(=NC5=O)OCCC6=CC=C(C=C6)[N+](=O)[O-])O)OS(=O)(=O)CCC7=CC=C(C=C7)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)OCCC6=CC=C(C=C6)[N+](=O)[O-])O)OS(=O)(=O)CCC7=CC=C(C=C7)[N+](=O)[O-]

InChI

InChI=1S/C46H44N4O14S/c1-59-38-20-12-34(13-21-38)46(33-6-4-3-5-7-33,35-14-22-39(60-2)23-15-35)62-30-40-43(64-65(57,58)29-26-32-10-18-37(19-11-32)50(55)56)42(51)44(63-40)48-27-24-41(47-45(48)52)61-28-25-31-8-16-36(17-9-31)49(53)54/h3-24,27,40,42-44,51H,25-26,28-30H2,1-2H3/t40-,42-,43-,44-/m1/s1