(1R,2S,3R,4R,5S)-3-(3-methoxyphenyl)-2,4-dinitro-5-propan-2-yl-cyclohexan-1-ol

Systemtic Name: (1R,2S,3R,4R,5S)-3-(3-methoxyphenyl)-2,4-dinitro-5-propan-2-yl-cyclohexan-1-ol Openeye Name: (1R,2S,3R,4R,5S)-5-isopropyl-3-(3-methoxyphenyl)-2,4-dinitro-cyclohexanol CAS Name: (1R,2S,3R,4R,5S)-3-(3-methoxyphenyl)-2,4-dinitro-5-propan-2-yl-1-cyclohexanol IUPAC Name: (1R,2S,3R,4R,5S)-3-(3-methoxyphenyl)-2,4-dinitro-5-propan-2-ylcyclohexan-1-ol Traditional Name: (1R,2S,3R,4R,5S)-5-isopropyl-3-(3-methoxyphenyl)-2,4-dinitro-cyclohexanol Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(C(C(C1[N+](=O)[O-])C2=CC(=CC=C2)OC)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-9(2)12-8-13(19)16(18(22)23)14(15(12)17(20)21)10-5-4-6-11(7-10)24-3/h4-7,9,12-16,19H,8H2,1-3H3/t12-,13+,14+,15+,16+/m0/s1