methyl 2-methyl-3-methylsulfonyl-4-pentyl-benzoate

Systemtic Name: methyl 2-methyl-3-methylsulfonyl-4-pentyl-benzoate Openeye Name: methyl 2-methyl-3-methylsulfonyl-4-pentyl-benzoate CAS Name: 2-methyl-3-methylsulfonyl-4-pentylbenzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-methylsulfonyl-4-pentylbenzoate Traditional Name: 4-amyl-3-mesyl-2-methyl-benzoic acid methyl ester Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)C(=O)OC)C)S(=O)(=O)C

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)C(=O)OC)C)S(=O)(=O)C

InChI

InChI=1S/C15H22O4S/c1-5-6-7-8-12-9-10-13(15(16)19-3)11(2)14(12)20(4,17)18/h9-10H,5-8H2,1-4H3