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

Systemtic Name: methyl 4-cyclopropyl-3-methylsulfonyl-2-propyl-benzoate Openeye Name: methyl 4-cyclopropyl-3-methylsulfonyl-2-propyl-benzoate CAS Name: 4-cyclopropyl-3-methylsulfonyl-2-propylbenzoic acid methyl ester IUPAC Name: methyl 4-cyclopropyl-3-methylsulfonyl-2-propylbenzoate Traditional Name: 4-cyclopropyl-3-mesyl-2-propyl-benzoic acid methyl ester Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1S(=O)(=O)C)C2CC2)C(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1S(=O)(=O)C)C2CC2)C(=O)OC

InChI

InChI=1S/C15H20O4S/c1-4-5-12-13(15(16)19-2)9-8-11(10-6-7-10)14(12)20(3,17)18/h8-10H,4-7H2,1-3H3