(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(2,4,6-trinitrophenyl)amino]phenoxy]oxane-3,4,5-triol

Systemtic Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(2,4,6-trinitrophenyl)amino]phenoxy]oxane-3,4,5-triol Openeye Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(2,4,6-trinitroanilino)phenoxy]tetrahydropyran-3,4,5-triol CAS Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(2,4,6-trinitroanilino)phenoxy]oxane-3,4,5-triol IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(2,4,6-trinitroanilino)phenoxy]oxane-3,4,5-triol Traditional Name: (2R,3S,4S,5R,6R)-2-methylol-6-[4-(2,4,6-trinitroanilino)phenoxy]tetrahydropyran-3,4,5-triol Formula: C18H18N4O12 MolecularWeight: 482.35512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC3C(C(C(C(O3)CO)O)O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C18H18N4O12/c23-7-13-15(24)16(25)17(26)18(34-13)33-10-3-1-8(2-4-10)19-14-11(21(29)30)5-9(20(27)28)6-12(14)22(31)32/h1-6,13,15-19,23-26H,7H2/t13-,15-,16+,17-,18+/m1/s1