[(2S,3R,4S,5S)-5-(iodanylmethyl)-2-methyl-4-oxidanyl-oxolan-3-yl] 4-nitrobenzoate

Systemtic Name: [(2S,3R,4S,5S)-5-(iodanylmethyl)-2-methyl-4-oxidanyl-oxolan-3-yl] 4-nitrobenzoate Openeye Name: [(2S,3R,4S,5S)-4-hydroxy-5-(iodomethyl)-2-methyl-tetrahydrofuran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,3R,4S,5S)-4-hydroxy-5-(iodomethyl)-2-methyl-3-oxolanyl] ester IUPAC Name: [(2S,3R,4S,5S)-4-hydroxy-5-(iodomethyl)-2-methyloxolan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,3R,4S,5S)-4-hydroxy-5-(iodomethyl)-2-methyl-tetrahydrofuran-3-yl] ester Formula: C13H14INO6 MolecularWeight: 407.15783

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)CI)O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H14INO6/c1-7-12(11(16)10(6-14)20-7)21-13(17)8-2-4-9(5-3-8)15(18)19/h2-5,7,10-12,16H,6H2,1H3/t7-,10+,11+,12-/m0/s1