[(2S)-2-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-methylsulfonyloxy-2-(4-nitrophenyl)carbonyloxy-ethyl]oxolan-2-yl]oxolan-2-yl]-2-oxidanyl-ethyl] 4-nitrobenzoate

Systemtic Name: [(2S)-2-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-methylsulfonyloxy-2-(4-nitrophenyl)carbonyloxy-ethyl]oxolan-2-yl]oxolan-2-yl]-2-oxidanyl-ethyl] 4-nitrobenzoate Openeye Name: [(2S)-2-hydroxy-2-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-methylsulfonyloxy-2-(4-nitrobenzoyl)oxy-ethyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S)-2-hydroxy-2-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-methylsulfonyloxy-2-[(4-nitrophenyl)-oxomethoxy]ethyl]-2-oxolanyl]-2-oxolanyl]ethyl] ester IUPAC Name: [(2S)-2-hydroxy-2-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-methylsulfonyloxy-2-(4-nitrobenzoyl)oxyethyl]oxolan-2-yl]oxolan-2-yl]ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S)-2-hydroxy-2-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-methylsulfonyloxy-2-(4-nitrobenzoyl)oxy-ethyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]ethyl] ester Formula: C27H30N2O14S MolecularWeight: 638.5971

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2CCC(O2)C3CCC(O3)C(COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CS(=O)(=O)O[C@@H](COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])[C@H]2CC[C@@H](O2)[C@H]3CC[C@@H](O3)[C@H](COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C27H30N2O14S/c1-44(37,38)43-25(15-40-27(32)17-4-8-19(9-5-17)29(35)36)24-13-12-23(42-24)22-11-10-21(41-22)20(30)14-39-26(31)16-2-6-18(7-3-16)28(33)34/h2-9,20-25,30H,10-15H2,1H3/t20-,21+,22+,23+,24+,25-/m0/s1