5,5-bis(4-chlorophenyl)-2-(4-iodophenyl)-1,3-dioxane-2-carboxylic acid

Systemtic Name: 5,5-bis(4-chlorophenyl)-2-(4-iodophenyl)-1,3-dioxane-2-carboxylic acid Openeye Name: 5,5-bis(4-chlorophenyl)-2-(4-iodophenyl)-1,3-dioxane-2-carboxylic acid CAS Name: 5,5-bis(4-chlorophenyl)-2-(4-iodophenyl)-1,3-dioxane-2-carboxylic acid IUPAC Name: 5,5-bis(4-chlorophenyl)-2-(4-iodophenyl)-1,3-dioxane-2-carboxylic acid Traditional Name: 5,5-bis(4-chlorophenyl)-2-(4-iodophenyl)-1,3-dioxane-2-carboxylic acid Formula: C23H17Cl2IO4 MolecularWeight: 555.18915

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC(O1)(C2=CC=C(C=C2)I)C(=O)O)(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C(COC(O1)(C2=CC=C(C=C2)I)C(=O)O)(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H17Cl2IO4/c24-18-7-1-15(2-8-18)22(16-3-9-19(25)10-4-16)13-29-23(21(27)28,30-14-22)17-5-11-20(26)12-6-17/h1-12H,13-14H2,(H,27,28)