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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)C)I

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)C)I

InChI

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