[2-[3-(3-iodanylphenyl)propanoyloxy]-3-(triphenylmethyl)oxy-propyl] octanoate

Systemtic Name: [2-[3-(3-iodanylphenyl)propanoyloxy]-3-(triphenylmethyl)oxy-propyl] octanoate Openeye Name: [2-[3-(3-iodophenyl)propanoyloxy]-3-trityloxy-propyl] octanoate CAS Name: octanoic acid [2-[3-(3-iodophenyl)-1-oxopropoxy]-3-(triphenylmethyl)oxypropyl] ester IUPAC Name: [2-[3-(3-iodophenyl)propanoyloxy]-3-trityloxypropyl] octanoate Traditional Name: caprylic acid [2-[3-(3-iodophenyl)propanoyloxy]-3-trityloxy-propyl] ester Formula: C39H43IO5 MolecularWeight: 718.66019

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)CCC4=CC(=CC=C4)I

Isomeric SMILES

CCCCCCCC(=O)OCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)CCC4=CC(=CC=C4)I

InChI

InChI=1S/C39H43IO5/c1-2-3-4-5-15-25-37(41)43-29-36(45-38(42)27-26-31-17-16-24-35(40)28-31)30-44-39(32-18-9-6-10-19-32,33-20-11-7-12-21-33)34-22-13-8-14-23-34/h6-14,16-24,28,36H,2-5,15,25-27,29-30H2,1H3