2-iodyl-3-octadecanoyl-benzenesulfonic acid

Systemtic Name: 2-iodyl-3-octadecanoyl-benzenesulfonic acid Openeye Name: 2-iodyl-3-octadecanoyl-benzenesulfonic acid CAS Name: 2-iodyl-3-(1-oxooctadecyl)benzenesulfonic acid IUPAC Name: 2-iodyl-3-octadecanoylbenzenesulfonic acid Traditional Name: 2-iodyl-3-stearoyl-besylic acid Formula: C24H39IO6S MolecularWeight: 582.53233

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(C(=CC=C1)S(=O)(=O)O)I(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(C(=CC=C1)S(=O)(=O)O)I(=O)=O

InChI

InChI=1S/C24H39IO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(26)21-18-17-20-23(32(29,30)31)24(21)25(27)28/h17-18,20H,2-16,19H2,1H3,(H,29,30,31)