3-[4-chloranyl-2,6-dinitro-3-(3-oxidanylpropoxy)phenoxy]propan-1-ol

Systemtic Name: 3-[4-chloranyl-2,6-dinitro-3-(3-oxidanylpropoxy)phenoxy]propan-1-ol Openeye Name: 3-[4-chloro-3-(3-hydroxypropoxy)-2,6-dinitro-phenoxy]propan-1-ol CAS Name: 3-[4-chloro-3-(3-hydroxypropoxy)-2,6-dinitrophenoxy]-1-propanol IUPAC Name: 3-[4-chloro-3-(3-hydroxypropoxy)-2,6-dinitrophenoxy]propan-1-ol Traditional Name: 3-[4-chloro-3-(3-hydroxypropoxy)-2,6-dinitro-phenoxy]propan-1-ol Formula: C12H15ClN2O8 MolecularWeight: 350.7091

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1Cl)OCCCO)[N+](=O)[O-])OCCCO)[N+](=O)[O-]

Isomeric SMILES

C1=C(C(=C(C(=C1Cl)OCCCO)[N+](=O)[O-])OCCCO)[N+](=O)[O-]

InChI

InChI=1S/C12H15ClN2O8/c13-8-7-9(14(18)19)12(23-6-2-4-17)10(15(20)21)11(8)22-5-1-3-16/h7,16-17H,1-6H2