[(1S)-3-[(4R,5S)-5-decyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2S,5S)-5-[(2R)-5-oxidanylideneoxolan-2-yl]oxolan-2-yl]propyl] 4-nitrobenzoate

Systemtic Name: [(1S)-3-[(4R,5S)-5-decyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2S,5S)-5-[(2R)-5-oxidanylideneoxolan-2-yl]oxolan-2-yl]propyl] 4-nitrobenzoate Openeye Name: [(1S)-3-[(4R,5S)-5-decyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2S,5S)-5-[(2R)-5-oxotetrahydrofuran-2-yl]tetrahydrofuran-2-yl]propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S)-3-[(4R,5S)-5-decyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2S,5S)-5-[(2R)-5-oxo-2-oxolanyl]-2-oxolanyl]propyl] ester IUPAC Name: [(1S)-3-[(4R,5S)-5-decyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2S,5S)-5-[(2R)-5-oxooxolan-2-yl]oxolan-2-yl]propyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-3-[(4R,5S)-5-decyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2S,5S)-5-[(2R)-5-ketotetrahydrofuran-2-yl]tetrahydrofuran-2-yl]propyl] ester Formula: C33H49NO9 MolecularWeight: 603.74346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1C(OC(O1)(C)C)CCC(C2CCC(O2)C3CCC(=O)O3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCC[C@H]1[C@H](OC(O1)(C)C)CC[C@@H]([C@@H]2CC[C@H](O2)[C@H]3CCC(=O)O3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C33H49NO9/c1-4-5-6-7-8-9-10-11-12-29-30(43-33(2,3)42-29)20-19-28(26-18-17-25(39-26)27-21-22-31(35)40-27)41-32(36)23-13-15-24(16-14-23)34(37)38/h13-16,25-30H,4-12,17-22H2,1-3H3/t25-,26-,27+,28-,29-,30+/m0/s1