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

Systemtic Name: (4-butan-2-ylphenyl) 3-iodanyl-4-methyl-benzoate Openeye Name: (4-sec-butylphenyl) 3-iodo-4-methyl-benzoate CAS Name: 3-iodo-4-methylbenzoic acid (4-butan-2-ylphenyl) ester IUPAC Name: (4-butan-2-ylphenyl) 3-iodo-4-methylbenzoate Traditional Name: 3-iodo-4-methyl-benzoic acid (4-sec-butylphenyl) ester Formula: C18H19IO2 MolecularWeight: 394.24673

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19IO2/c1-4-12(2)14-7-9-16(10-8-14)21-18(20)15-6-5-13(3)17(19)11-15/h5-12H,4H2,1-3H3