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

Systemtic Name: methyl 4-cyclopropyl-2-methyl-3-methylsulfonyl-benzoate Openeye Name: methyl 4-cyclopropyl-2-methyl-3-methylsulfonyl-benzoate CAS Name: 4-cyclopropyl-2-methyl-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-cyclopropyl-2-methyl-3-methylsulfonylbenzoate Traditional Name: 4-cyclopropyl-3-mesyl-2-methyl-benzoic acid methyl ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1S(=O)(=O)C)C2CC2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1S(=O)(=O)C)C2CC2)C(=O)OC

InChI

InChI=1S/C13H16O4S/c1-8-10(13(14)17-2)6-7-11(9-4-5-9)12(8)18(3,15)16/h6-7,9H,4-5H2,1-3H3