[(1S)-1-[(2S,3aS,5R,6aR)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propyl] 4-nitrobenzoate

Systemtic Name: [(1S)-1-[(2S,3aS,5R,6aR)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propyl] 4-nitrobenzoate Openeye Name: [(1S)-1-[(2S,3aS,5R,6aR)-2-(2-tert-butoxy-2-oxo-ethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S)-1-[(2S,3aS,5R,6aR)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propyl] ester IUPAC Name: [(1S)-1-[(2S,3aS,5R,6aR)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-1-[(2S,3aS,5R,6aR)-2-(2-tert-butoxy-2-keto-ethyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]propyl] ester Formula: C22H29NO8 MolecularWeight: 435.46756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CC2CC(OC2O1)CC(=O)OC(C)(C)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H]([C@H]1C[C@@H]2C[C@H](O[C@@H]2O1)CC(=O)OC(C)(C)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H29NO8/c1-5-17(29-20(25)13-6-8-15(9-7-13)23(26)27)18-11-14-10-16(28-21(14)30-18)12-19(24)31-22(2,3)4/h6-9,14,16-18,21H,5,10-12H2,1-4H3/t14-,16-,17-,18+,21+/m0/s1