3-[(2,4-dichlorophenyl)methyl]-2-benzofuran-1-carboxylic acid

Systemtic Name: 3-[(2,4-dichlorophenyl)methyl]-2-benzofuran-1-carboxylic acid Openeye Name: 3-[(2,4-dichlorophenyl)methyl]isobenzofuran-1-carboxylic acid CAS Name: 3-[(2,4-dichlorophenyl)methyl]-1-isobenzofurancarboxylic acid IUPAC Name: 3-[(2,4-dichlorophenyl)methyl]-2-benzofuran-1-carboxylic acid Traditional Name: 3-(2,4-dichlorobenzyl)isobenzofuran-1-carboxylic acid Formula: C16H10Cl2O3 MolecularWeight: 321.1548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(OC(=C2C=C1)C(=O)O)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC2=C(OC(=C2C=C1)C(=O)O)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H10Cl2O3/c17-10-6-5-9(13(18)8-10)7-14-11-3-1-2-4-12(11)15(21-14)16(19)20/h1-6,8H,7H2,(H,19,20)