(2-propan-2-ylphenyl) 3-iodanyl-4-methyl-benzoate

Systemtic Name: (2-propan-2-ylphenyl) 3-iodanyl-4-methyl-benzoate Openeye Name: (2-isopropylphenyl) 3-iodo-4-methyl-benzoate CAS Name: 3-iodo-4-methylbenzoic acid (2-propan-2-ylphenyl) ester IUPAC Name: (2-propan-2-ylphenyl) 3-iodo-4-methylbenzoate Traditional Name: 3-iodo-4-methyl-benzoic acid o-cumenyl ester Formula: C17H17IO2 MolecularWeight: 380.22015

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C(C)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C(C)C)I

InChI

InChI=1S/C17H17IO2/c1-11(2)14-6-4-5-7-16(14)20-17(19)13-9-8-12(3)15(18)10-13/h4-11H,1-3H3