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

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[4-[(2,4-dinitrophenyl)amino]phenoxy]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[4-(2,4-dinitroanilino)phenoxy]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[4-(2,4-dinitroanilino)phenoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[4-(2,4-dinitroanilino)phenoxy]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[4-(2,4-dinitroanilino)phenoxy]tetrahydropyran-2-yl]methyl ester Formula: C26H27N3O14 MolecularWeight: 605.50428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])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=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C26H27N3O14/c1-13(30)38-12-22-23(39-14(2)31)24(40-15(3)32)25(41-16(4)33)26(43-22)42-19-8-5-17(6-9-19)27-20-10-7-18(28(34)35)11-21(20)29(36)37/h5-11,22-27H,12H2,1-4H3/t22-,23-,24+,25-,26+/m1/s1