methyl 4-ethyl-3-methylsulfonyl-2-propyl-benzoate

Systemtic Name: methyl 4-ethyl-3-methylsulfonyl-2-propyl-benzoate Openeye Name: methyl 4-ethyl-3-methylsulfonyl-2-propyl-benzoate CAS Name: 4-ethyl-3-methylsulfonyl-2-propylbenzoic acid methyl ester IUPAC Name: methyl 4-ethyl-3-methylsulfonyl-2-propylbenzoate Traditional Name: 4-ethyl-3-mesyl-2-propyl-benzoic acid methyl ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1S(=O)(=O)C)CC)C(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1S(=O)(=O)C)CC)C(=O)OC

InChI

InChI=1S/C14H20O4S/c1-5-7-11-12(14(15)18-3)9-8-10(6-2)13(11)19(4,16)17/h8-9H,5-7H2,1-4H3