3-[[3,5-dinitro-4-(3-oxidanylpropoxymethyl)phenyl]methoxy]propan-1-ol; propane-1,2-diol

Systemtic Name: 3-[[3,5-dinitro-4-(3-oxidanylpropoxymethyl)phenyl]methoxy]propan-1-ol; propane-1,2-diol Openeye Name: 3-[[4-(3-hydroxypropoxymethyl)-3,5-dinitro-phenyl]methoxy]propan-1-ol; propane-1,2-diol CAS Name: 3-[[4-(3-hydroxypropoxymethyl)-3,5-dinitrophenyl]methoxy]-1-propanol; propane-1,2-diol IUPAC Name: 3-[[4-(3-hydroxypropoxymethyl)-3,5-dinitrophenyl]methoxy]propan-1-ol; propane-1,2-diol Traditional Name: 3-[4-(3-hydroxypropoxymethyl)-3,5-dinitro-benzyl]oxypropan-1-ol; propane-1,2-diol Formula: C17H28N2O10 MolecularWeight: 420.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)O.C1=C(C=C(C(=C1[N+](=O)[O-])COCCCO)[N+](=O)[O-])COCCCO

Isomeric SMILES

CC(CO)O.C1=C(C=C(C(=C1[N+](=O)[O-])COCCCO)[N+](=O)[O-])COCCCO

InChI

InChI=1S/C14H20N2O8.C3H8O2/c17-3-1-5-23-9-11-7-13(15(19)20)12(10-24-6-2-4-18)14(8-11)16(21)22;1-3(5)2-4/h7-8,17-18H,1-6,9-10H2;3-5H,2H2,1H3