2-(2-iodyl-5-octadecyl-phenyl)ethanoic acid

Systemtic Name: 2-(2-iodyl-5-octadecyl-phenyl)ethanoic acid Openeye Name: 2-(2-iodyl-5-octadecyl-phenyl)acetic acid CAS Name: 2-(2-iodyl-5-octadecylphenyl)acetic acid IUPAC Name: 2-(2-iodyl-5-octadecylphenyl)acetic acid Traditional Name: 2-(2-iodyl-5-stearyl-phenyl)acetic acid Formula: C26H43IO4 MolecularWeight: 546.52169

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)I(=O)=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)I(=O)=O)CC(=O)O

InChI

InChI=1S/C26H43IO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-20-25(27(30)31)24(21-23)22-26(28)29/h19-21H,2-18,22H2,1H3,(H,28,29)