[(1R,2R)-2-phenylsulfanylcyclooctyl] benzoate

Systemtic Name: [(1R,2R)-2-phenylsulfanylcyclooctyl] benzoate Openeye Name: [(1R,2R)-2-phenylsulfanylcyclooctyl] benzoate CAS Name: benzoic acid [(1R,2R)-2-(phenylthio)cyclooctyl] ester IUPAC Name: [(1R,2R)-2-phenylsulfanylcyclooctyl] benzoate Traditional Name: benzoic acid [(1R,2R)-2-(phenylthio)cyclooctyl] ester Formula: C21H24O2S MolecularWeight: 340.47906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(C(CC1)OC(=O)C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1CCC[C@H]([C@@H](CC1)OC(=O)C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H24O2S/c22-21(17-11-5-3-6-12-17)23-19-15-9-1-2-10-16-20(19)24-18-13-7-4-8-14-18/h3-8,11-14,19-20H,1-2,9-10,15-16H2/t19-,20-/m1/s1