octadecyl 3-(3-iodanyl-5-oxidanyl-phenyl)propanoate

Systemtic Name: octadecyl 3-(3-iodanyl-5-oxidanyl-phenyl)propanoate Openeye Name: octadecyl 3-(3-hydroxy-5-iodo-phenyl)propanoate CAS Name: 3-(3-hydroxy-5-iodophenyl)propanoic acid octadecyl ester IUPAC Name: octadecyl 3-(3-hydroxy-5-iodophenyl)propanoate Traditional Name: 3-(3-hydroxy-5-iodo-phenyl)propionic acid stearyl ester Formula: C27H45IO3 MolecularWeight: 544.54887

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=CC(=C1)I)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=CC(=C1)I)O

InChI

InChI=1S/C27H45IO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-27(30)19-18-24-21-25(28)23-26(29)22-24/h21-23,29H,2-20H2,1H3