[(2S,3S,4R,6S)-6-butoxy-2-methyl-3-oxidanyl-oxan-4-yl] 4-nitrobenzoate

Systemtic Name: [(2S,3S,4R,6S)-6-butoxy-2-methyl-3-oxidanyl-oxan-4-yl] 4-nitrobenzoate Openeye Name: [(2S,3S,4R,6S)-6-butoxy-3-hydroxy-2-methyl-tetrahydropyran-4-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,3S,4R,6S)-6-butoxy-3-hydroxy-2-methyl-4-oxanyl] ester IUPAC Name: [(2S,3S,4R,6S)-6-butoxy-3-hydroxy-2-methyloxan-4-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,3S,4R,6S)-6-butoxy-3-hydroxy-2-methyl-tetrahydropyran-4-yl] ester Formula: C17H23NO7 MolecularWeight: 353.36702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CC(C(C(O1)C)O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCO[C@@H]1C[C@H]([C@H]([C@@H](O1)C)O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H23NO7/c1-3-4-9-23-15-10-14(16(19)11(2)24-15)25-17(20)12-5-7-13(8-6-12)18(21)22/h5-8,11,14-16,19H,3-4,9-10H2,1-2H3/t11-,14+,15-,16-/m0/s1