[(1R,3S,5R)-3-propan-2-yl-5-trimethylstannyl-cyclohexyl] 4-nitrobenzoate

Systemtic Name: [(1R,3S,5R)-3-propan-2-yl-5-trimethylstannyl-cyclohexyl] 4-nitrobenzoate Openeye Name: [(1R,3S,5R)-3-isopropyl-5-trimethylstannyl-cyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,3S,5R)-3-propan-2-yl-5-trimethylstannylcyclohexyl] ester IUPAC Name: [(1R,3S,5R)-3-propan-2-yl-5-trimethylstannylcyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,3S,5R)-3-isopropyl-5-trimethylstannyl-cyclohexyl] ester Formula: C19H29NO4Sn MolecularWeight: 454.14786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20NO4.3CH3.Sn/c1-11(2)13-4-3-5-15(10-13)21-16(18)12-6-8-14(9-7-12)17(19)20;;;;/h3,6-9,11,13,15H,4-5,10H2,1-2H3;3*1H3;/t13-,15+;;;;/m1..../s1