methyl 4-cyclopropyl-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-cyclopropyl-3-methylsulfonyl-benzoate Openeye Name: methyl 4-cyclopropyl-3-methylsulfonyl-benzoate CAS Name: 4-cyclopropyl-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-cyclopropyl-3-methylsulfonylbenzoate Traditional Name: 4-cyclopropyl-3-mesyl-benzoic acid methyl ester Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C2CC2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C2CC2)S(=O)(=O)C

InChI

InChI=1S/C12H14O4S/c1-16-12(13)9-5-6-10(8-3-4-8)11(7-9)17(2,14)15/h5-8H,3-4H2,1-2H3