methyl 2-ethyl-3-methylsulfonyl-4-propan-2-yl-benzoate

Systemtic Name: methyl 2-ethyl-3-methylsulfonyl-4-propan-2-yl-benzoate Openeye Name: methyl 2-ethyl-4-isopropyl-3-methylsulfonyl-benzoate CAS Name: 2-ethyl-3-methylsulfonyl-4-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 2-ethyl-3-methylsulfonyl-4-propan-2-ylbenzoate Traditional Name: 2-ethyl-4-isopropyl-3-mesyl-benzoic acid methyl ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)C)C(C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)C)C(C)C)C(=O)OC

InChI

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