2-[3-(carboxymethyl)-2-iodyl-5-octadecyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-(carboxymethyl)-2-iodyl-5-octadecyl-phenyl]ethanoic acid Openeye Name: 2-[3-(carboxymethyl)-2-iodyl-5-octadecyl-phenyl]acetic acid CAS Name: 2-[3-(carboxymethyl)-2-iodyl-5-octadecylphenyl]acetic acid IUPAC Name: 2-[3-(carboxymethyl)-2-iodyl-5-octadecylphenyl]acetic acid Traditional Name: 2-[3-(carboxymethyl)-2-iodyl-5-stearyl-phenyl]acetic acid Formula: C28H45IO6 MolecularWeight: 604.55777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45IO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-24(21-26(30)31)28(29(34)35)25(20-23)22-27(32)33/h19-20H,2-18,21-22H2,1H3,(H,30,31)(H,32,33)