methyl 2-ethynyl-4-(4-methylphenyl)-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-ethynyl-4-(4-methylphenyl)-5-methylsulfonyl-benzoate Openeye Name: methyl 2-ethynyl-5-methylsulfonyl-4-(p-tolyl)benzoate CAS Name: 2-ethynyl-4-(4-methylphenyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-ethynyl-4-(4-methylphenyl)-5-methylsulfonylbenzoate Traditional Name: 2-ethynyl-5-mesyl-4-(p-tolyl)benzoic acid methyl ester Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=C(C(=C2)C#C)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=C(C(=C2)C#C)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C18H16O4S/c1-5-13-10-15(14-8-6-12(2)7-9-14)17(23(4,20)21)11-16(13)18(19)22-3/h1,6-11H,2-4H3