2-(3-ethyl-4-iodanyl-octan-3-yl)oxycarbonylbenzoic acid

Systemtic Name: 2-(3-ethyl-4-iodanyl-octan-3-yl)oxycarbonylbenzoic acid Openeye Name: 2-(1,1-diethyl-2-iodo-hexoxy)carbonylbenzoic acid CAS Name: 2-[(3-ethyl-4-iodooctan-3-yl)oxy-oxomethyl]benzoic acid IUPAC Name: 2-(3-ethyl-4-iodooctan-3-yl)oxycarbonylbenzoic acid Traditional Name: 2-(1,1-diethyl-2-iodo-hexoxy)carbonylbenzoic acid Formula: C18H25IO4 MolecularWeight: 432.29317

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC)(CC)OC(=O)C1=CC=CC=C1C(=O)O)I

Isomeric SMILES

CCCCC(C(CC)(CC)OC(=O)C1=CC=CC=C1C(=O)O)I

InChI

InChI=1S/C18H25IO4/c1-4-7-12-15(19)18(5-2,6-3)23-17(22)14-11-9-8-10-13(14)16(20)21/h8-11,15H,4-7,12H2,1-3H3,(H,20,21)