1,4-bis(2,4-dinitrophenoxy)butane-2,3-diol

Systemtic Name: 1,4-bis(2,4-dinitrophenoxy)butane-2,3-diol Openeye Name: 1,4-bis(2,4-dinitrophenoxy)butane-2,3-diol CAS Name: 1,4-bis(2,4-dinitrophenoxy)butane-2,3-diol IUPAC Name: 1,4-bis(2,4-dinitrophenoxy)butane-2,3-diol Traditional Name: 1,4-bis(2,4-dinitrophenoxy)butane-2,3-diol Formula: C16H14N4O12 MolecularWeight: 454.30196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OCC(C(COC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OCC(C(COC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O)O

InChI

InChI=1S/C16H14N4O12/c21-13(7-31-15-3-1-9(17(23)24)5-11(15)19(27)28)14(22)8-32-16-4-2-10(18(25)26)6-12(16)20(29)30/h1-6,13-14,21-22H,7-8H2