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

Systemtic Name: [(2S,3S,4S,5S)-4-acetyloxy-5-(iodanylmethyl)-2-methyl-oxolan-3-yl] 4-nitrobenzoate Openeye Name: [(2S,3S,4S,5S)-4-acetoxy-5-(iodomethyl)-2-methyl-tetrahydrofuran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,3S,4S,5S)-4-acetyloxy-5-(iodomethyl)-2-methyl-3-oxolanyl] ester IUPAC Name: [(2S,3S,4S,5S)-4-acetyloxy-5-(iodomethyl)-2-methyloxolan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,3S,4S,5S)-4-acetoxy-5-(iodomethyl)-2-methyl-tetrahydrofuran-3-yl] ester Formula: C15H16INO7 MolecularWeight: 449.19451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16INO7/c1-8-13(14(23-9(2)18)12(7-16)22-8)24-15(19)10-3-5-11(6-4-10)17(20)21/h3-6,8,12-14H,7H2,1-2H3/t8-,12+,13-,14+/m0/s1