2-(1-iodanylethoxycarbonyl)-3-octyl-benzoate

Systemtic Name: 2-(1-iodanylethoxycarbonyl)-3-octyl-benzoate Openeye Name: 2-(1-iodoethoxycarbonyl)-3-octyl-benzoate CAS Name: 2-[1-iodoethoxy(oxo)methyl]-3-octylbenzoate IUPAC Name: 2-(1-iodoethoxycarbonyl)-3-octylbenzoate Traditional Name: 2-(1-iodoethoxycarbonyl)-3-octyl-benzoate Formula: C18H24IO4- MolecularWeight: 431.28523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC(=C1C(=O)OC(C)I)C(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CC=CC(=C1C(=O)OC(C)I)C(=O)[O-]

InChI

InChI=1S/C18H25IO4/c1-3-4-5-6-7-8-10-14-11-9-12-15(17(20)21)16(14)18(22)23-13(2)19/h9,11-13H,3-8,10H2,1-2H3,(H,20,21)/p-1