ethyl 8-ethanoyl-13-(3-iodanylphenoxy)-12-oxidanyl-tridecanoate

Systemtic Name: ethyl 8-ethanoyl-13-(3-iodanylphenoxy)-12-oxidanyl-tridecanoate Openeye Name: ethyl 8-acetyl-12-hydroxy-13-(3-iodophenoxy)tridecanoate CAS Name: 8-acetyl-12-hydroxy-13-(3-iodophenoxy)tridecanoic acid ethyl ester IUPAC Name: ethyl 8-acetyl-12-hydroxy-13-(3-iodophenoxy)tridecanoate Traditional Name: 8-acetyl-12-hydroxy-13-(3-iodophenoxy)tridecanoic acid ethyl ester Formula: C23H35IO5 MolecularWeight: 518.42547

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC(CCCC(COC1=CC(=CC=C1)I)O)C(=O)C

Isomeric SMILES

CCOC(=O)CCCCCCC(CCCC(COC1=CC(=CC=C1)I)O)C(=O)C

InChI

InChI=1S/C23H35IO5/c1-3-28-23(27)15-7-5-4-6-10-19(18(2)25)11-8-13-21(26)17-29-22-14-9-12-20(24)16-22/h9,12,14,16,19,21,26H,3-8,10-11,13,15,17H2,1-2H3