4-[2-(4-oxidanyl-5-phenoxy-pentyl)-2,3-dihydro-1-benzofuran-5-yl]benzoic acid

Systemtic Name: 4-[2-(4-oxidanyl-5-phenoxy-pentyl)-2,3-dihydro-1-benzofuran-5-yl]benzoic acid Openeye Name: 4-[2-(4-hydroxy-5-phenoxy-pentyl)-2,3-dihydrobenzofuran-5-yl]benzoic acid CAS Name: 4-[2-(4-hydroxy-5-phenoxypentyl)-2,3-dihydrobenzofuran-5-yl]benzoic acid IUPAC Name: 4-[2-(4-hydroxy-5-phenoxypentyl)-2,3-dihydro-1-benzofuran-5-yl]benzoic acid Traditional Name: 4-[2-(4-hydroxy-5-phenoxy-pentyl)coumaran-5-yl]benzoic acid Formula: C26H26O5 MolecularWeight: 418.48164

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2)C3=CC=C(C=C3)C(=O)O)CCCC(COC4=CC=CC=C4)O

Isomeric SMILES

C1C(OC2=C1C=C(C=C2)C3=CC=C(C=C3)C(=O)O)CCCC(COC4=CC=CC=C4)O

InChI

InChI=1S/C26H26O5/c27-22(17-30-23-6-2-1-3-7-23)5-4-8-24-16-21-15-20(13-14-25(21)31-24)18-9-11-19(12-10-18)26(28)29/h1-3,6-7,9-15,22,24,27H,4-5,8,16-17H2,(H,28,29)