[2-[3-(3-iodanylphenyl)propanoyloxy]-3-oxidanyl-propyl] octanoate

Systemtic Name: [2-[3-(3-iodanylphenyl)propanoyloxy]-3-oxidanyl-propyl] octanoate Openeye Name: [3-hydroxy-2-[3-(3-iodophenyl)propanoyloxy]propyl] octanoate CAS Name: octanoic acid [3-hydroxy-2-[3-(3-iodophenyl)-1-oxopropoxy]propyl] ester IUPAC Name: [3-hydroxy-2-[3-(3-iodophenyl)propanoyloxy]propyl] octanoate Traditional Name: caprylic acid [3-hydroxy-2-[3-(3-iodophenyl)propanoyloxy]propyl] ester Formula: C20H29IO5 MolecularWeight: 476.34573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(CO)OC(=O)CCC1=CC(=CC=C1)I

Isomeric SMILES

CCCCCCCC(=O)OCC(CO)OC(=O)CCC1=CC(=CC=C1)I

InChI

InChI=1S/C20H29IO5/c1-2-3-4-5-6-10-19(23)25-15-18(14-22)26-20(24)12-11-16-8-7-9-17(21)13-16/h7-9,13,18,22H,2-6,10-12,14-15H2,1H3