4,6-bis[(4-iodophenyl)methyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4,6-bis[(4-iodophenyl)methyl]benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis[(4-iodophenyl)methyl]benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis[(4-iodophenyl)methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis[(4-iodophenyl)methyl]benzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis(4-iodobenzyl)isophthalic acid Formula: C22H16I2O4 MolecularWeight: 598.16898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=CC=C(C=C3)I)I

Isomeric SMILES

C1=CC(=CC=C1CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=CC=C(C=C3)I)I

InChI

InChI=1S/C22H16I2O4/c23-17-5-1-13(2-6-17)9-15-11-16(10-14-3-7-18(24)8-4-14)20(22(27)28)12-19(15)21(25)26/h1-8,11-12H,9-10H2,(H,25,26)(H,27,28)