(1R,2S,3R,4R,5R)-5-ethyl-3-(furan-2-yl)-2,4-dinitro-cyclohexan-1-ol

Systemtic Name: (1R,2S,3R,4R,5R)-5-ethyl-3-(furan-2-yl)-2,4-dinitro-cyclohexan-1-ol Openeye Name: (1R,2S,3R,4R,5R)-5-ethyl-3-(2-furyl)-2,4-dinitro-cyclohexanol CAS Name: (1R,2S,3R,4R,5R)-5-ethyl-3-(2-furanyl)-2,4-dinitro-1-cyclohexanol IUPAC Name: (1R,2S,3R,4R,5R)-5-ethyl-3-(furan-2-yl)-2,4-dinitrocyclohexan-1-ol Traditional Name: (1R,2S,3R,4R,5R)-5-ethyl-3-(2-furyl)-2,4-dinitro-cyclohexanol Formula: C12H16N2O6 MolecularWeight: 284.26524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C(C(C1[N+](=O)[O-])C2=CC=CO2)[N+](=O)[O-])O

Isomeric SMILES

CC[C@@H]1C[C@H]([C@H]([C@@H]([C@@H]1[N+](=O)[O-])C2=CC=CO2)[N+](=O)[O-])O

InChI

InChI=1S/C12H16N2O6/c1-2-7-6-8(15)12(14(18)19)10(11(7)13(16)17)9-4-3-5-20-9/h3-5,7-8,10-12,15H,2,6H2,1H3/t7-,8-,10-,11-,12-/m1/s1