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

Systemtic Name: methyl 4-cyclopropyl-2-ethyl-3-methylsulfonyl-benzoate Openeye Name: methyl 4-cyclopropyl-2-ethyl-3-methylsulfonyl-benzoate CAS Name: 4-cyclopropyl-2-ethyl-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-cyclopropyl-2-ethyl-3-methylsulfonylbenzoate Traditional Name: 4-cyclopropyl-2-ethyl-3-mesyl-benzoic acid methyl ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)C)C2CC2)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)C)C2CC2)C(=O)OC

InChI

InChI=1S/C14H18O4S/c1-4-10-12(14(15)18-2)8-7-11(9-5-6-9)13(10)19(3,16)17/h7-9H,4-6H2,1-3H3