2-iodosyl-3,5,6-trioctadecyl-benzoic acid

Systemtic Name: 2-iodosyl-3,5,6-trioctadecyl-benzoic acid Openeye Name: 2-iodosyl-3,5,6-trioctadecyl-benzoic acid CAS Name: 2-iodosyl-3,5,6-trioctadecylbenzoic acid IUPAC Name: 2-iodosyl-3,5,6-trioctadecylbenzoic acid Traditional Name: 2-iodosyl-3,5,6-tristearyl-benzoic acid Formula: C61H113IO3 MolecularWeight: 1021.45259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C61H113IO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-55-57(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60(62-65)59(61(63)64)58(56)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h55H,4-54H2,1-3H3,(H,63,64)