4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-iodanyl-4-methyl-phenyl)butan-1-one

Systemtic Name: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-iodanyl-4-methyl-phenyl)butan-1-one Openeye Name: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-iodo-4-methyl-phenyl)butan-1-one CAS Name: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-iodo-4-methylphenyl)-1-butanone IUPAC Name: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-iodo-4-methylphenyl)butan-1-one Traditional Name: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-iodo-4-methyl-phenyl)butan-1-one Formula: C17H23IO3 MolecularWeight: 402.26719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCCC2OCC(CO2)(C)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCCC2OCC(CO2)(C)C)I

InChI

InChI=1S/C17H23IO3/c1-12-7-8-13(9-14(12)18)15(19)5-4-6-16-20-10-17(2,3)11-21-16/h7-9,16H,4-6,10-11H2,1-3H3