4-(2-iodanyl-4,5-dimethyl-phenyl)-3-methyl-butan-2-one

Systemtic Name: 4-(2-iodanyl-4,5-dimethyl-phenyl)-3-methyl-butan-2-one Openeye Name: 4-(2-iodo-4,5-dimethyl-phenyl)-3-methyl-butan-2-one CAS Name: 4-(2-iodo-4,5-dimethylphenyl)-3-methyl-2-butanone IUPAC Name: 4-(2-iodo-4,5-dimethylphenyl)-3-methylbutan-2-one Traditional Name: 4-(2-iodo-4,5-dimethyl-phenyl)-3-methyl-butan-2-one Formula: C13H17IO MolecularWeight: 316.17795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)I)CC(C)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)I)CC(C)C(=O)C

InChI

InChI=1S/C13H17IO/c1-8-5-12(6-10(3)11(4)15)13(14)7-9(8)2/h5,7,10H,6H2,1-4H3