(2,4,6-triethyl-3,5-dinitro-phenyl)methanetriol

Systemtic Name: (2,4,6-triethyl-3,5-dinitro-phenyl)methanetriol Openeye Name: (2,4,6-triethyl-3,5-dinitro-phenyl)methanetriol CAS Name: (2,4,6-triethyl-3,5-dinitrophenyl)methanetriol IUPAC Name: (2,4,6-triethyl-3,5-dinitrophenyl)methanetriol Traditional Name: (2,4,6-triethyl-3,5-dinitro-phenyl)methanetriol Formula: C13H18N2O7 MolecularWeight: 314.29122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1[N+](=O)[O-])CC)[N+](=O)[O-])CC)C(O)(O)O

Isomeric SMILES

CCC1=C(C(=C(C(=C1[N+](=O)[O-])CC)[N+](=O)[O-])CC)C(O)(O)O

InChI

InChI=1S/C13H18N2O7/c1-4-7-10(13(16,17)18)8(5-2)12(15(21)22)9(6-3)11(7)14(19)20/h16-18H,4-6H2,1-3H3