[1-[15-(4-iodanylphenyl)pentadecanoyloxy]-3-oxidanyl-propan-2-yl] octadecanoate

Systemtic Name: [1-[15-(4-iodanylphenyl)pentadecanoyloxy]-3-oxidanyl-propan-2-yl] octadecanoate Openeye Name: [1-(hydroxymethyl)-2-[15-(4-iodanylphenyl)pentadecanoyloxy]ethyl] octadecanoate CAS Name: octadecanoic acid [1-hydroxy-3-[15-(4-iodanylphenyl)-1-oxopentadecoxy]propan-2-yl] ester IUPAC Name: [1-hydroxy-3-[15-(4-iodanylphenyl)pentadecanoyloxy]propan-2-yl] octadecanoate Traditional Name: stearic acid [2-hydroxy-1-[15-(4-iodanylphenyl)pentadecanoyloxymethyl]ethyl] ester Formula: C42H73IO5 MolecularWeight: 780.931618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC1=CC=C(C=C1)I

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC1=CC=C(C=C1)[123I]

InChI

InChI=1S/C42H73IO5/c1-2-3-4-5-6-7-8-9-10-11-16-19-22-25-28-31-42(46)48-40(36-44)37-47-41(45)30-27-24-21-18-15-13-12-14-17-20-23-26-29-38-32-34-39(43)35-33-38/h32-35,40,44H,2-31,36-37H2,1H3/i43-4