methyl 3-(3-iodanylphenyl)-2,2-dimethyl-3-oxidanyl-propanoate

Systemtic Name: methyl 3-(3-iodanylphenyl)-2,2-dimethyl-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-3-(3-iodophenyl)-2,2-dimethyl-propanoate CAS Name: 3-hydroxy-3-(3-iodophenyl)-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-3-(3-iodophenyl)-2,2-dimethylpropanoate Traditional Name: 3-hydroxy-3-(3-iodophenyl)-2,2-dimethyl-propionic acid methyl ester Formula: C12H15IO3 MolecularWeight: 334.15017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC(=CC=C1)I)O)C(=O)OC

Isomeric SMILES

CC(C)(C(C1=CC(=CC=C1)I)O)C(=O)OC

InChI

InChI=1S/C12H15IO3/c1-12(2,11(15)16-3)10(14)8-5-4-6-9(13)7-8/h4-7,10,14H,1-3H3