4-[[1,3-bis(oxidanylidene)-2-benzofuran-5-yl]methyl]benzoic acid

Systemtic Name: 4-[[1,3-bis(oxidanylidene)-2-benzofuran-5-yl]methyl]benzoic acid Openeye Name: 4-[(1,3-dioxoisobenzofuran-5-yl)methyl]benzoic acid CAS Name: 4-[(1,3-dioxo-5-isobenzofuranyl)methyl]benzoic acid IUPAC Name: 4-[(1,3-dioxo-2-benzofuran-5-yl)methyl]benzoic acid Traditional Name: 4-[(1,3-diketophthalan-5-yl)methyl]benzoic acid Formula: C16H10O5 MolecularWeight: 282.2476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC3=C(C=C2)C(=O)OC3=O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC3=C(C=C2)C(=O)OC3=O)C(=O)O

InChI

InChI=1S/C16H10O5/c17-14(18)11-4-1-9(2-5-11)7-10-3-6-12-13(8-10)16(20)21-15(12)19/h1-6,8H,7H2,(H,17,18)