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

Systemtic Name: [(2S,3S,4S,5S)-5-(iodanylmethyl)-2-methyl-4-phenylmethoxy-oxolan-3-yl] 4-nitrobenzoate Openeye Name: [(2S,3S,4S,5S)-4-benzyloxy-5-(iodomethyl)-2-methyl-tetrahydrofuran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,3S,4S,5S)-5-(iodomethyl)-2-methyl-4-phenylmethoxy-3-oxolanyl] ester IUPAC Name: [(2S,3S,4S,5S)-5-(iodomethyl)-2-methyl-4-phenylmethoxyoxolan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,3S,4S,5S)-4-benzoxy-5-(iodomethyl)-2-methyl-tetrahydrofuran-3-yl] ester Formula: C20H20INO6 MolecularWeight: 497.28037

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)CI)OCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1[C@@H]([C@@H]([C@H](O1)CI)OCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20INO6/c1-13-18(28-20(23)15-7-9-16(10-8-15)22(24)25)19(17(11-21)27-13)26-12-14-5-3-2-4-6-14/h2-10,13,17-19H,11-12H2,1H3/t13-,17+,18-,19+/m0/s1