[(1R,2R,5S)-5-tert-butyl-2-trimethylsilyl-cyclohexyl] 2,4-dinitrobenzoate

Systemtic Name: [(1R,2R,5S)-5-tert-butyl-2-trimethylsilyl-cyclohexyl] 2,4-dinitrobenzoate Openeye Name: [(1R,2R,5S)-5-tert-butyl-2-trimethylsilyl-cyclohexyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [(1R,2R,5S)-5-tert-butyl-2-trimethylsilylcyclohexyl] ester IUPAC Name: [(1R,2R,5S)-5-tert-butyl-2-trimethylsilylcyclohexyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [(1R,2R,5S)-5-tert-butyl-2-trimethylsilyl-cyclohexyl] ester Formula: C20H30N2O6Si MolecularWeight: 422.5475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(C(C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[Si](C)(C)C

Isomeric SMILES

CC(C)(C)[C@H]1CC[C@H]([C@@H](C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[Si](C)(C)C

InChI

InChI=1S/C20H30N2O6Si/c1-20(2,3)13-7-10-18(29(4,5)6)17(11-13)28-19(23)15-9-8-14(21(24)25)12-16(15)22(26)27/h8-9,12-13,17-18H,7,10-11H2,1-6H3/t13-,17+,18+/m0/s1