[(2S,6R)-5-oxidanylidene-4-[(1R)-1-oxidanylnonyl]-2-propan-2-yloxy-2H-pyran-6-yl]methyl 4-nitrobenzoate

Systemtic Name: [(2S,6R)-5-oxidanylidene-4-[(1R)-1-oxidanylnonyl]-2-propan-2-yloxy-2H-pyran-6-yl]methyl 4-nitrobenzoate Openeye Name: [(2S,6R)-4-[(1R)-1-hydroxynonyl]-2-isopropoxy-5-oxo-2H-pyran-6-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,6R)-4-[(1R)-1-hydroxynonyl]-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl ester IUPAC Name: [(2S,6R)-4-[(1R)-1-hydroxynonyl]-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,6R)-4-[(1R)-1-hydroxynonyl]-2-isopropoxy-5-keto-2H-pyran-6-yl]methyl ester Formula: C25H35NO8 MolecularWeight: 477.5473

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C1=CC(OC(C1=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(C)C)O

Isomeric SMILES

CCCCCCCC[C@H](C1=C[C@H](O[C@@H](C1=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(C)C)O

InChI

InChI=1S/C25H35NO8/c1-4-5-6-7-8-9-10-21(27)20-15-23(33-17(2)3)34-22(24(20)28)16-32-25(29)18-11-13-19(14-12-18)26(30)31/h11-15,17,21-23,27H,4-10,16H2,1-3H3/t21-,22-,23+/m1/s1