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

Systemtic Name: [(2S,6R)-4-[(1R)-1-oxidanylbutyl]-5-oxidanylidene-2-propan-2-yloxy-2H-pyran-6-yl]methyl 4-nitrobenzoate Openeye Name: [(2S,6R)-4-[(1R)-1-hydroxybutyl]-2-isopropoxy-5-oxo-2H-pyran-6-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,6R)-4-[(1R)-1-hydroxybutyl]-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl ester IUPAC Name: [(2S,6R)-4-[(1R)-1-hydroxybutyl]-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,6R)-4-[(1R)-1-hydroxybutyl]-2-isopropoxy-5-keto-2H-pyran-6-yl]methyl ester Formula: C20H25NO8 MolecularWeight: 407.4144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[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/C20H25NO8/c1-4-5-16(22)15-10-18(28-12(2)3)29-17(19(15)23)11-27-20(24)13-6-8-14(9-7-13)21(25)26/h6-10,12,16-18,22H,4-5,11H2,1-3H3/t16-,17-,18+/m1/s1