4-[1-(4-carboxyphenyl)-3-oxidanylidene-2-benzofuran-1-yl]benzoic acid

Systemtic Name: 4-[1-(4-carboxyphenyl)-3-oxidanylidene-2-benzofuran-1-yl]benzoic acid Openeye Name: 4-[1-(4-carboxyphenyl)-3-oxo-isobenzofuran-1-yl]benzoic acid CAS Name: 4-[1-(4-carboxyphenyl)-3-oxo-1-isobenzofuranyl]benzoic acid IUPAC Name: 4-[1-(4-carboxyphenyl)-3-oxo-2-benzofuran-1-yl]benzoic acid Traditional Name: 4-[1-(4-carboxyphenyl)-3-keto-phthalan-1-yl]benzoic acid Formula: C22H14O6 MolecularWeight: 374.34296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H14O6/c23-19(24)13-5-9-15(10-6-13)22(16-11-7-14(8-12-16)20(25)26)18-4-2-1-3-17(18)21(27)28-22/h1-12H,(H,23,24)(H,25,26)