methyl 4-(2-cyclohexylethanoyl)-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-(2-cyclohexylethanoyl)-3-methylsulfonyl-benzoate Openeye Name: methyl 4-(2-cyclohexylacetyl)-3-methylsulfonyl-benzoate CAS Name: 4-(2-cyclohexyl-1-oxoethyl)-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(2-cyclohexylacetyl)-3-methylsulfonylbenzoate Traditional Name: 4-(2-cyclohexylacetyl)-3-mesyl-benzoic acid methyl ester Formula: C17H22O5S MolecularWeight: 338.41858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)CC2CCCCC2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)CC2CCCCC2)S(=O)(=O)C

InChI

InChI=1S/C17H22O5S/c1-22-17(19)13-8-9-14(16(11-13)23(2,20)21)15(18)10-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3