methyl (1R)-1-[2,2-bis(phenylsulfonyl)ethyl]-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R)-1-[2,2-bis(phenylsulfonyl)ethyl]-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1R)-1-[2,2-bis(benzenesulfonyl)ethyl]-2-oxo-cyclohexanecarboxylate CAS Name: (1R)-1-[2,2-bis(benzenesulfonyl)ethyl]-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R)-1-[2,2-bis(benzenesulfonyl)ethyl]-2-oxocyclohexane-1-carboxylate Traditional Name: (1R)-1-(2,2-dibesylethyl)-2-keto-cyclohexanecarboxylic acid methyl ester Formula: C22H24O7S2 MolecularWeight: 464.55176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1=O)CC(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@]1(CCCCC1=O)CC(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24O7S2/c1-29-21(24)22(15-9-8-14-19(22)23)16-20(30(25,26)17-10-4-2-5-11-17)31(27,28)18-12-6-3-7-13-18/h2-7,10-13,20H,8-9,14-16H2,1H3/t22-/m1/s1