methyl 4-cyclohexylsulfanyl-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-cyclohexylsulfanyl-3-methylsulfonyl-benzoate Openeye Name: methyl 4-cyclohexylsulfanyl-3-methylsulfonyl-benzoate CAS Name: 4-(cyclohexylthio)-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-cyclohexylsulfanyl-3-methylsulfonylbenzoate Traditional Name: 4-(cyclohexylthio)-3-mesyl-benzoic acid methyl ester Formula: C15H20O4S2 MolecularWeight: 328.4469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SC2CCCCC2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SC2CCCCC2)S(=O)(=O)C

InChI

InChI=1S/C15H20O4S2/c1-19-15(16)11-8-9-13(14(10-11)21(2,17)18)20-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3