octan-2-yl 2,3,5-tris(iodanyl)benzoate

Systemtic Name: octan-2-yl 2,3,5-tris(iodanyl)benzoate Openeye Name: 1-methylheptyl 2,3,5-triiodobenzoate CAS Name: 2,3,5-triiodobenzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 2,3,5-triiodobenzoate Traditional Name: 2,3,5-triiodobenzoic acid 1-methylheptyl ester Formula: C15H19I3O2 MolecularWeight: 612.02357

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC(=CC(=C1I)I)I

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC(=CC(=C1I)I)I

InChI

InChI=1S/C15H19I3O2/c1-3-4-5-6-7-10(2)20-15(19)12-8-11(16)9-13(17)14(12)18/h8-10H,3-7H2,1-2H3