2,5-bis(chloromethyl)-1,3-dinitro-benzene; propane-1,2-diol

Systemtic Name: 2,5-bis(chloromethyl)-1,3-dinitro-benzene; propane-1,2-diol Openeye Name: 2,5-bis(chloromethyl)-1,3-dinitro-benzene; propane-1,2-diol CAS Name: 2,5-bis(chloromethyl)-1,3-dinitrobenzene; propane-1,2-diol IUPAC Name: 2,5-bis(chloromethyl)-1,3-dinitrobenzene; propane-1,2-diol Traditional Name: 2,5-bis(chloromethyl)-1,3-dinitro-benzene; propane-1,2-diol Formula: C11H14Cl2N2O6 MolecularWeight: 341.14466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6Cl2N2O4.C3H8O2/c9-3-5-1-7(11(13)14)6(4-10)8(2-5)12(15)16;1-3(5)2-4/h1-2H,3-4H2;3-5H,2H2,1H3