3-(2-methylhexan-2-yl)-2,4-dinitro-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-ol

Systemtic Name: 3-(2-methylhexan-2-yl)-2,4-dinitro-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-ol Openeye Name: 3-(1,1-dimethylpentyl)-2,4-dinitro-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-ol CAS Name: 3-(2-methylhexan-2-yl)-2,4-dinitro-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-ol IUPAC Name: 3-(2-methylhexan-2-yl)-2,4-dinitro-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-ol Traditional Name: 3-(1,1-dimethylpentyl)-2,4-dinitro-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-ol Formula: C19H26N2O6 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C1=C(C2=C(C3CCCCC3O2)C(=C1[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C)(C)C1=C(C2=C(C3CCCCC3O2)C(=C1[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C19H26N2O6/c1-4-5-10-19(2,3)14-15(20(23)24)17(22)13-11-8-6-7-9-12(11)27-18(13)16(14)21(25)26/h11-12,22H,4-10H2,1-3H3