methyl 2-methyl-4-(2-methylpropyl)-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-methyl-4-(2-methylpropyl)-5-methylsulfonyl-benzoate Openeye Name: methyl 4-isobutyl-2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-4-(2-methylpropyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-methyl-4-(2-methylpropyl)-5-methylsulfonylbenzoate Traditional Name: 4-isobutyl-5-mesyl-2-methyl-benzoic acid methyl ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)CC(C)C

InChI

InChI=1S/C14H20O4S/c1-9(2)6-11-7-10(3)12(14(15)18-4)8-13(11)19(5,16)17/h7-9H,6H2,1-5H3