methyl 2-methyl-5-methylsulfonyl-4-prop-1-en-2-yl-benzoate

Systemtic Name: methyl 2-methyl-5-methylsulfonyl-4-prop-1-en-2-yl-benzoate Openeye Name: methyl 4-isopropenyl-2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-4-(1-methylethenyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-methylsulfonyl-4-prop-1-en-2-ylbenzoate Traditional Name: 4-isopropenyl-5-mesyl-2-methyl-benzoic acid methyl ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4S/c1-8(2)10-6-9(3)11(13(14)17-4)7-12(10)18(5,15)16/h6-7H,1H2,2-5H3