(1S,2S,3R,4S)-1,4-bis(azanyl)-1,5-bis(4-nitrophenoxy)pentane-2,3-diol

Systemtic Name: (1S,2S,3R,4S)-1,4-bis(azanyl)-1,5-bis(4-nitrophenoxy)pentane-2,3-diol Openeye Name: (1S,2S,3R,4S)-1,4-diamino-1,5-bis(4-nitrophenoxy)pentane-2,3-diol CAS Name: (1S,2S,3R,4S)-1,4-diamino-1,5-bis(4-nitrophenoxy)pentane-2,3-diol IUPAC Name: (1S,2S,3R,4S)-1,4-diamino-1,5-bis(4-nitrophenoxy)pentane-2,3-diol Traditional Name: (1S,2S,3R,4S)-1,4-diamino-1,5-bis(4-nitrophenoxy)pentane-2,3-diol Formula: C17H20N4O8 MolecularWeight: 408.3627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCC(C(C(C(N)OC2=CC=C(C=C2)[N+](=O)[O-])O)O)N

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC[C@@H]([C@H]([C@@H]([C@@H](N)OC2=CC=C(C=C2)[N+](=O)[O-])O)O)N

InChI

InChI=1S/C17H20N4O8/c18-14(9-28-12-5-1-10(2-6-12)20(24)25)15(22)16(23)17(19)29-13-7-3-11(4-8-13)21(26)27/h1-8,14-17,22-23H,9,18-19H2/t14-,15+,16-,17-/m0/s1