3-ethyl-1-(4-methylsulfonylphenyl)-3-oxidanyl-pentan-2-one

Systemtic Name: 3-ethyl-1-(4-methylsulfonylphenyl)-3-oxidanyl-pentan-2-one Openeye Name: 3-ethyl-3-hydroxy-1-(4-methylsulfonylphenyl)pentan-2-one CAS Name: 3-ethyl-3-hydroxy-1-(4-methylsulfonylphenyl)-2-pentanone IUPAC Name: 3-ethyl-3-hydroxy-1-(4-methylsulfonylphenyl)pentan-2-one Traditional Name: 3-ethyl-3-hydroxy-1-(4-mesylphenyl)pentan-2-one Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)CC1=CC=C(C=C1)S(=O)(=O)C)O

Isomeric SMILES

CCC(CC)(C(=O)CC1=CC=C(C=C1)S(=O)(=O)C)O

InChI

InChI=1S/C14H20O4S/c1-4-14(16,5-2)13(15)10-11-6-8-12(9-7-11)19(3,17)18/h6-9,16H,4-5,10H2,1-3H3