(2,3,6-trimethylphenyl) 2-iodanylbenzoate

Systemtic Name: (2,3,6-trimethylphenyl) 2-iodanylbenzoate Openeye Name: (2,3,6-trimethylphenyl) 2-iodobenzoate CAS Name: 2-iodobenzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-iodobenzoate Traditional Name: 2-iodobenzoic acid (2,3,6-trimethylphenyl) ester Formula: C16H15IO2 MolecularWeight: 366.19357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC=CC=C2I)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC=CC=C2I)C

InChI

InChI=1S/C16H15IO2/c1-10-8-9-11(2)15(12(10)3)19-16(18)13-6-4-5-7-14(13)17/h4-9H,1-3H3