[(1S,2S,4S)-4-tert-butyl-1-ethynyl-2-(5-trimethylsilylpent-4-ynyl)cyclohexyl] 4-nitrobenzoate

Systemtic Name: [(1S,2S,4S)-4-tert-butyl-1-ethynyl-2-(5-trimethylsilylpent-4-ynyl)cyclohexyl] 4-nitrobenzoate Openeye Name: [(1S,2S,4S)-4-tert-butyl-1-ethynyl-2-(5-trimethylsilylpent-4-ynyl)cyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,2S,4S)-4-tert-butyl-1-ethynyl-2-(5-trimethylsilylpent-4-ynyl)cyclohexyl] ester IUPAC Name: [(1S,2S,4S)-4-tert-butyl-1-ethynyl-2-(5-trimethylsilylpent-4-ynyl)cyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,2S,4S)-4-tert-butyl-1-ethynyl-2-(5-trimethylsilylpent-4-ynyl)cyclohexyl] ester Formula: C27H37NO4Si MolecularWeight: 467.67248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO4Si/c1-8-27(32-25(29)21-13-15-24(16-14-21)28(30)31)18-17-22(26(2,3)4)20-23(27)12-10-9-11-19-33(5,6)7/h1,13-16,22-23H,9-10,12,17-18,20H2,2-7H3/t22-,23-,27-/m0/s1