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

Systemtic Name: 4-iodosyl-5-octadecyl-benzene-1,3-dicarboxylic acid Openeye Name: 4-iodosyl-5-octadecyl-benzene-1,3-dicarboxylic acid CAS Name: 4-iodosyl-5-octadecylbenzene-1,3-dicarboxylic acid IUPAC Name: 4-iodosyl-5-octadecylbenzene-1,3-dicarboxylic acid Traditional Name: 4-iodosyl-5-stearyl-isophthalic acid Formula: C26H41IO5 MolecularWeight: 560.50521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1I=O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1I=O)C(=O)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)20-23(26(30)31)24(21)27-32/h19-20H,2-18H2,1H3,(H,28,29)(H,30,31)