3-[4-(3,5-ditert-butyl-4-oxidanyl-phenoxy)-3,5-bis(iodanyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(3,5-ditert-butyl-4-oxidanyl-phenoxy)-3,5-bis(iodanyl)phenyl]propanoic acid Openeye Name: 3-[4-(3,5-ditert-butyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]propanoic acid CAS Name: 3-[4-(3,5-ditert-butyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid IUPAC Name: 3-[4-(3,5-ditert-butyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid Traditional Name: 3-[4-(3,5-ditert-butyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]propionic acid Formula: C23H28I2O4 MolecularWeight: 622.27496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC2=C(C=C(C=C2I)CCC(=O)O)I

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC2=C(C=C(C=C2I)CCC(=O)O)I

InChI

InChI=1S/C23H28I2O4/c1-22(2,3)15-11-14(12-16(20(15)28)23(4,5)6)29-21-17(24)9-13(10-18(21)25)7-8-19(26)27/h9-12,28H,7-8H2,1-6H3,(H,26,27)