3-[4,5-dinitro-2-(3-oxidanylpropoxy)phenoxy]propan-1-ol

Systemtic Name: 3-[4,5-dinitro-2-(3-oxidanylpropoxy)phenoxy]propan-1-ol Openeye Name: 3-[2-(3-hydroxypropoxy)-4,5-dinitro-phenoxy]propan-1-ol CAS Name: 3-[2-(3-hydroxypropoxy)-4,5-dinitrophenoxy]-1-propanol IUPAC Name: 3-[2-(3-hydroxypropoxy)-4,5-dinitrophenoxy]propan-1-ol Traditional Name: 3-[2-(3-hydroxypropoxy)-4,5-dinitro-phenoxy]propan-1-ol Formula: C12H16N2O8 MolecularWeight: 316.26404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1OCCCO)OCCCO)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C(=CC(=C1OCCCO)OCCCO)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O8/c15-3-1-5-21-11-7-9(13(17)18)10(14(19)20)8-12(11)22-6-2-4-16/h7-8,15-16H,1-6H2