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

Systemtic Name: 2,2-bis(4-chlorophenyl)-1,3-benzodioxole-5-carboxylic acid Openeye Name: 2,2-bis(4-chlorophenyl)-1,3-benzodioxole-5-carboxylic acid CAS Name: 2,2-bis(4-chlorophenyl)-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 2,2-bis(4-chlorophenyl)-1,3-benzodioxole-5-carboxylic acid Traditional Name: 2,2-bis(4-chlorophenyl)-piperonylic acid Formula: C20H12Cl2O4 MolecularWeight: 387.21288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2(OC3=C(O2)C=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C2(OC3=C(O2)C=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H12Cl2O4/c21-15-6-2-13(3-7-15)20(14-4-8-16(22)9-5-14)25-17-10-1-12(19(23)24)11-18(17)26-20/h1-11H,(H,23,24)