5-ethyl-5-(propan-2-ylsulfonylmethyl)octan-4-one

Systemtic Name: 5-ethyl-5-(propan-2-ylsulfonylmethyl)octan-4-one Openeye Name: 5-ethyl-5-(isopropylsulfonylmethyl)octan-4-one CAS Name: 5-ethyl-5-(propan-2-ylsulfonylmethyl)-4-octanone IUPAC Name: 5-ethyl-5-(propan-2-ylsulfonylmethyl)octan-4-one Traditional Name: 5-ethyl-5-(isopropylsulfonylmethyl)octan-4-one Formula: C14H28O3S MolecularWeight: 276.43532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC)(CCC)CS(=O)(=O)C(C)C

Isomeric SMILES

CCCC(=O)C(CC)(CCC)CS(=O)(=O)C(C)C

InChI

InChI=1S/C14H28O3S/c1-6-9-13(15)14(8-3,10-7-2)11-18(16,17)12(4)5/h12H,6-11H2,1-5H3