(E)-6,6-dimethyl-5-methylsulfonyl-hept-3-en-2-one

Systemtic Name: (E)-6,6-dimethyl-5-methylsulfonyl-hept-3-en-2-one Openeye Name: (E)-6,6-dimethyl-5-methylsulfonyl-hept-3-en-2-one CAS Name: (E)-6,6-dimethyl-5-methylsulfonyl-3-hepten-2-one IUPAC Name: (E)-6,6-dimethyl-5-methylsulfonylhept-3-en-2-one Traditional Name: (E)-5-mesyl-6,6-dimethyl-hept-3-en-2-one Formula: C10H18O3S MolecularWeight: 218.31312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC(C(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CC(=O)/C=C/C(C(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C10H18O3S/c1-8(11)6-7-9(10(2,3)4)14(5,12)13/h6-7,9H,1-5H3/b7-6+