3-[2-(4-carboxyphenyl)ethyl]-4-oxidanyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[2-(4-carboxyphenyl)ethyl]-4-oxidanyl-1-benzofuran-2-carboxylic acid Openeye Name: 3-[2-(4-carboxyphenyl)ethyl]-4-hydroxy-benzofuran-2-carboxylic acid CAS Name: 3-[2-(4-carboxyphenyl)ethyl]-4-hydroxy-2-benzofurancarboxylic acid IUPAC Name: 3-[2-(4-carboxyphenyl)ethyl]-4-hydroxy-1-benzofuran-2-carboxylic acid Traditional Name: 3-[2-(4-carboxyphenyl)ethyl]-4-hydroxy-coumarilic acid Formula: C18H14O6 MolecularWeight: 326.30016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)C(=C(O2)C(=O)O)CCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)O)C(=C(O2)C(=O)O)CCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H14O6/c19-13-2-1-3-14-15(13)12(16(24-14)18(22)23)9-6-10-4-7-11(8-5-10)17(20)21/h1-5,7-8,19H,6,9H2,(H,20,21)(H,22,23)