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

Systemtic Name: methyl 4-(2-cyclohexylethynyl)-3-methylsulfonyl-benzoate Openeye Name: methyl 4-(2-cyclohexylethynyl)-3-methylsulfonyl-benzoate CAS Name: 4-(2-cyclohexylethynyl)-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(2-cyclohexylethynyl)-3-methylsulfonylbenzoate Traditional Name: 4-(2-cyclohexylethynyl)-3-mesyl-benzoic acid methyl ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O4S/c1-21-17(18)15-11-10-14(16(12-15)22(2,19)20)9-8-13-6-4-3-5-7-13/h10-13H,3-7H2,1-2H3