ethyl 3-iodanyl-4-[(1S,2S)-2-(4-methylphenyl)sulfonyloxycyclohexyl]oxy-benzoate

Systemtic Name: ethyl 3-iodanyl-4-[(1S,2S)-2-(4-methylphenyl)sulfonyloxycyclohexyl]oxy-benzoate Openeye Name: ethyl 3-iodo-4-[(1S,2S)-2-(p-tolylsulfonyloxy)cyclohexoxy]benzoate CAS Name: 3-iodo-4-[(1S,2S)-2-(4-methylphenyl)sulfonyloxycyclohexyl]oxybenzoic acid ethyl ester IUPAC Name: ethyl 3-iodo-4-[(1S,2S)-2-(4-methylphenyl)sulfonyloxycyclohexyl]oxybenzoate Traditional Name: 3-iodo-4-[(1S,2S)-2-tosyloxycyclohexoxy]benzoic acid ethyl ester Formula: C22H25IO6S MolecularWeight: 544.39977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)OC2CCCCC2OS(=O)(=O)C3=CC=C(C=C3)C)I

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)O[C@H]2CCCC[C@@H]2OS(=O)(=O)C3=CC=C(C=C3)C)I

InChI

InChI=1S/C22H25IO6S/c1-3-27-22(24)16-10-13-19(18(23)14-16)28-20-6-4-5-7-21(20)29-30(25,26)17-11-8-15(2)9-12-17/h8-14,20-21H,3-7H2,1-2H3/t20-,21-/m0/s1