methyl 2-[(2-iodanylphenyl)methyl]-5,5-dimethyl-4-oxidanylidene-hexanoate

Systemtic Name: methyl 2-[(2-iodanylphenyl)methyl]-5,5-dimethyl-4-oxidanylidene-hexanoate Openeye Name: methyl 2-[(2-iodophenyl)methyl]-5,5-dimethyl-4-oxo-hexanoate CAS Name: 2-[(2-iodophenyl)methyl]-5,5-dimethyl-4-oxohexanoic acid methyl ester IUPAC Name: methyl 2-[(2-iodophenyl)methyl]-5,5-dimethyl-4-oxohexanoate Traditional Name: 2-(2-iodobenzyl)-4-keto-5,5-dimethyl-hexanoic acid methyl ester Formula: C16H21IO3 MolecularWeight: 388.24061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC(CC1=CC=CC=C1I)C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)CC(CC1=CC=CC=C1I)C(=O)OC

InChI

InChI=1S/C16H21IO3/c1-16(2,3)14(18)10-12(15(19)20-4)9-11-7-5-6-8-13(11)17/h5-8,12H,9-10H2,1-4H3