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

Systemtic Name: 2-iodosyl-3,5,6-trioctadecyl-benzenesulfonic acid Openeye Name: 2-iodosyl-3,5,6-trioctadecyl-benzenesulfonic acid CAS Name: 2-iodosyl-3,5,6-trioctadecylbenzenesulfonic acid IUPAC Name: 2-iodosyl-3,5,6-trioctadecylbenzenesulfonic acid Traditional Name: 2-iodosyl-3,5,6-tristearyl-besylic acid Formula: C60H113IO4S MolecularWeight: 1057.50629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C60H113IO4S/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)59(61-62)60(66(63,64)65)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,63,64,65)