(4-iodophenyl)methyl octanoate

Systemtic Name: (4-iodophenyl)methyl octanoate Openeye Name: (4-iodophenyl)methyl octanoate CAS Name: octanoic acid (4-iodophenyl)methyl ester IUPAC Name: (4-iodophenyl)methyl octanoate Traditional Name: caprylic acid (4-iodobenzyl) ester Formula: C15H21IO2 MolecularWeight: 360.23051

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1=CC=C(C=C1)I

Isomeric SMILES

CCCCCCCC(=O)OCC1=CC=C(C=C1)I

InChI

InChI=1S/C15H21IO2/c1-2-3-4-5-6-7-15(17)18-12-13-8-10-14(16)11-9-13/h8-11H,2-7,12H2,1H3