methyl 2-methyl-5-methylsulfonyl-4-[(E)-prop-1-enyl]benzoate

Systemtic Name: methyl 2-methyl-5-methylsulfonyl-4-[(E)-prop-1-enyl]benzoate Openeye Name: methyl 2-methyl-5-methylsulfonyl-4-[(E)-prop-1-enyl]benzoate CAS Name: 2-methyl-5-methylsulfonyl-4-[(E)-prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-methylsulfonyl-4-[(E)-prop-1-enyl]benzoate Traditional Name: 5-mesyl-2-methyl-4-[(E)-prop-1-enyl]benzoic acid methyl ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1S(=O)(=O)C)C(=O)OC)C

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1S(=O)(=O)C)C(=O)OC)C

InChI

InChI=1S/C13H16O4S/c1-5-6-10-7-9(2)11(13(14)17-3)8-12(10)18(4,15)16/h5-8H,1-4H3/b6-5+