[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-(bromomethyl)-6-nitro-phenoxy]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-(bromomethyl)-6-nitro-phenoxy]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[2-(bromomethyl)-6-nitro-phenoxy]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-(bromomethyl)-6-nitrophenoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-(bromomethyl)-6-nitrophenoxy]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[2-(bromomethyl)-6-nitro-phenoxy]tetrahydropyran-2-yl]methyl ester Formula: C21H24BrNO12 MolecularWeight: 562.31876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2=C(C=CC=C2[N+](=O)[O-])CBr)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2=C(C=CC=C2[N+](=O)[O-])CBr)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H24BrNO12/c1-10(24)30-9-16-18(31-11(2)25)19(32-12(3)26)20(33-13(4)27)21(34-16)35-17-14(8-22)6-5-7-15(17)23(28)29/h5-7,16,18-21H,8-9H2,1-4H3/t16-,18-,19+,20-,21-/m1/s1