2-(2-iodosyl-3-octadecanoyl-phenyl)ethanoic acid

Systemtic Name: 2-(2-iodosyl-3-octadecanoyl-phenyl)ethanoic acid Openeye Name: 2-(2-iodosyl-3-octadecanoyl-phenyl)acetic acid CAS Name: 2-[2-iodosyl-3-(1-oxooctadecyl)phenyl]acetic acid IUPAC Name: 2-(2-iodosyl-3-octadecanoylphenyl)acetic acid Traditional Name: 2-(2-iodosyl-3-stearoyl-phenyl)acetic acid Formula: C26H41IO4 MolecularWeight: 544.50581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(C(=CC=C1)CC(=O)O)I=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(C(=CC=C1)CC(=O)O)I=O

InChI

InChI=1S/C26H41IO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(28)23-19-17-18-22(21-25(29)30)26(23)27-31/h17-19H,2-16,20-21H2,1H3,(H,29,30)