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

Systemtic Name: methyl 3-methylsulfonyl-4-(2-phenylethynyl)benzoate Openeye Name: methyl 3-methylsulfonyl-4-(2-phenylethynyl)benzoate CAS Name: 3-methylsulfonyl-4-(2-phenylethynyl)benzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-(2-phenylethynyl)benzoate Traditional Name: 3-mesyl-4-(2-phenylethynyl)benzoic acid methyl ester Formula: C17H14O4S MolecularWeight: 314.35566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C#CC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C#CC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C17H14O4S/c1-21-17(18)15-11-10-14(16(12-15)22(2,19)20)9-8-13-6-4-3-5-7-13/h3-7,10-12H,1-2H3