2-(1-iodanylethoxycarbonyl)-3-octyl-benzoic acid

Systemtic Name: 2-(1-iodanylethoxycarbonyl)-3-octyl-benzoic acid Openeye Name: 2-(1-iodoethoxycarbonyl)-3-octyl-benzoic acid CAS Name: 2-[1-iodoethoxy(oxo)methyl]-3-octylbenzoic acid IUPAC Name: 2-(1-iodoethoxycarbonyl)-3-octylbenzoic acid Traditional Name: 2-(1-iodoethoxycarbonyl)-3-octyl-benzoic acid Formula: C18H25IO4 MolecularWeight: 432.29317

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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)