[(1R,2R,4S)-4-tert-butyl-2-trimethylsilyl-cyclohexyl] 3,5-dinitrobenzoate

Systemtic Name: [(1R,2R,4S)-4-tert-butyl-2-trimethylsilyl-cyclohexyl] 3,5-dinitrobenzoate Openeye Name: [(1R,2R,4S)-4-tert-butyl-2-trimethylsilyl-cyclohexyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexyl] ester IUPAC Name: [(1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R,2R,4S)-4-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)[Si](C)(C)C)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O6Si/c1-20(2,3)14-7-8-17(18(11-14)29(4,5)6)28-19(23)13-9-15(21(24)25)12-16(10-13)22(26)27/h9-10,12,14,17-18H,7-8,11H2,1-6H3/t14-,17+,18+/m0/s1