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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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