methyl 2-ethynyl-4-methyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-ethynyl-4-methyl-5-methylsulfonyl-benzoate Openeye Name: methyl 2-ethynyl-4-methyl-5-methylsulfonyl-benzoate CAS Name: 2-ethynyl-4-methyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-ethynyl-4-methyl-5-methylsulfonylbenzoate Traditional Name: 2-ethynyl-5-mesyl-4-methyl-benzoic acid methyl ester Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C#C)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C#C)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C12H12O4S/c1-5-9-6-8(2)11(17(4,14)15)7-10(9)12(13)16-3/h1,6-7H,2-4H3