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

Systemtic Name: 3-(2-methylhexan-2-yl)-2-nitro-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-ol Openeye Name: 3-(1,1-dimethylpentyl)-2-nitro-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-ol CAS Name: 3-(2-methylhexan-2-yl)-2-nitro-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-ol IUPAC Name: 3-(2-methylhexan-2-yl)-2-nitro-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-ol Traditional Name: 3-(1,1-dimethylpentyl)-2-nitro-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-ol Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C1=CC2=C(C3CCCCC3O2)C(=C1[N+](=O)[O-])O

Isomeric SMILES

CCCCC(C)(C)C1=CC2=C(C3CCCCC3O2)C(=C1[N+](=O)[O-])O

InChI

InChI=1S/C19H27NO4/c1-4-5-10-19(2,3)13-11-15-16(18(21)17(13)20(22)23)12-8-6-7-9-14(12)24-15/h11-12,14,21H,4-10H2,1-3H3