2-[3-(carboxymethyl)-2-iodosyl-4,5-dioctadecyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-(carboxymethyl)-2-iodosyl-4,5-dioctadecyl-phenyl]ethanoic acid Openeye Name: 2-[3-(carboxymethyl)-2-iodosyl-4,5-dioctadecyl-phenyl]acetic acid CAS Name: 2-[3-(carboxymethyl)-2-iodosyl-4,5-dioctadecylphenyl]acetic acid IUPAC Name: 2-[3-(carboxymethyl)-2-iodosyl-4,5-dioctadecylphenyl]acetic acid Traditional Name: 2-[3-(carboxymethyl)-2-iodosyl-4,5-distearyl-phenyl]acetic acid Formula: C46H81IO5 MolecularWeight: 841.03681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCCCCCCCC)CC(=O)O)I=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCCCCCCCC)CC(=O)O)I=O)CC(=O)O

InChI

InChI=1S/C46H81IO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-37-41(38-44(48)49)46(47-52)43(39-45(50)51)42(40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36,38-39H2,1-2H3,(H,48,49)(H,50,51)