2-(2-iodosyl-3,5,6-trioctadecyl-phenyl)ethanoic acid

Systemtic Name: 2-(2-iodosyl-3,5,6-trioctadecyl-phenyl)ethanoic acid Openeye Name: 2-(2-iodosyl-3,5,6-trioctadecyl-phenyl)acetic acid CAS Name: 2-(2-iodosyl-3,5,6-trioctadecylphenyl)acetic acid IUPAC Name: 2-(2-iodosyl-3,5,6-trioctadecylphenyl)acetic acid Traditional Name: 2-(2-iodosyl-3,5,6-tristearyl-phenyl)acetic acid Formula: C62H115IO3 MolecularWeight: 1035.47917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCCCCCCCC)CC(=O)O)I=O)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCCCCCCCC)CC(=O)O)I=O)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C62H115IO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-57-55-58(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)62(63-66)60(56-61(64)65)59(57)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h55H,4-54,56H2,1-3H3,(H,64,65)