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

Systemtic Name: 5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-iodanyl-4-methyl-phenyl)pentan-1-one Openeye Name: 5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-iodo-4-methyl-phenyl)pentan-1-one CAS Name: 5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-iodo-4-methylphenyl)-1-pentanone IUPAC Name: 5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-iodo-4-methylphenyl)pentan-1-one Traditional Name: 5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-iodo-4-methyl-phenyl)pentan-1-one Formula: C18H25IO3 MolecularWeight: 416.29377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCCCC2OCC(CO2)(C)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCCCC2OCC(CO2)(C)C)I

InChI

InChI=1S/C18H25IO3/c1-13-8-9-14(10-15(13)19)16(20)6-4-5-7-17-21-11-18(2,3)12-22-17/h8-10,17H,4-7,11-12H2,1-3H3