2-iodosyl-5-octadecyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 2-iodosyl-5-octadecyl-benzene-1,3-dicarboxylic acid Openeye Name: 2-iodosyl-5-octadecyl-benzene-1,3-dicarboxylic acid CAS Name: 2-iodosyl-5-octadecylbenzene-1,3-dicarboxylic acid IUPAC Name: 2-iodosyl-5-octadecylbenzene-1,3-dicarboxylic acid Traditional Name: 2-iodosyl-5-stearyl-isophthalic acid Formula: C26H41IO5 MolecularWeight: 560.50521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1)C(=O)O)I=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1)C(=O)O)I=O)C(=O)O

InChI

InChI=1S/C26H41IO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-22(25(28)29)24(27-32)23(20-21)26(30)31/h19-20H,2-18H2,1H3,(H,28,29)(H,30,31)