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

Systemtic Name: [(1S,3S,5R)-3-propan-2-yl-5-trimethylstannyl-cyclohexyl] 4-nitrobenzenesulfonate Openeye Name: [(1S,3S,5R)-3-isopropyl-5-trimethylstannyl-cyclohexyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(1S,3S,5R)-3-propan-2-yl-5-trimethylstannylcyclohexyl] ester IUPAC Name: [(1S,3S,5R)-3-propan-2-yl-5-trimethylstannylcyclohexyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(1S,3S,5R)-3-isopropyl-5-trimethylstannyl-cyclohexyl] ester Formula: C18H29NO5SSn MolecularWeight: 490.20156

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C15H20NO5S.3CH3.Sn/c1-11(2)12-4-3-5-14(10-12)21-22(19,20)15-8-6-13(7-9-15)16(17)18;;;;/h3,6-9,11-12,14H,4-5,10H2,1-2H3;3*1H3;/t12-,14-;;;;/m1..../s1