2-[[4-(6-oxidanyl-6-oxidanylidene-hexyl)phenoxy]methyl]benzoic acid

Systemtic Name: 2-[[4-(6-oxidanyl-6-oxidanylidene-hexyl)phenoxy]methyl]benzoic acid Openeye Name: 2-[[4-(6-hydroxy-6-oxo-hexyl)phenoxy]methyl]benzoic acid CAS Name: 2-[[4-(6-hydroxy-6-oxohexyl)phenoxy]methyl]benzoic acid IUPAC Name: 2-[[4-(6-hydroxy-6-oxohexyl)phenoxy]methyl]benzoic acid Traditional Name: 2-[[4-(6-hydroxy-6-keto-hexyl)phenoxy]methyl]benzoic acid Formula: C20H22O5 MolecularWeight: 342.38568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=CC=C(C=C2)CCCCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)COC2=CC=C(C=C2)CCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C20H22O5/c21-19(22)9-3-1-2-6-15-10-12-17(13-11-15)25-14-16-7-4-5-8-18(16)20(23)24/h4-5,7-8,10-13H,1-3,6,9,14H2,(H,21,22)(H,23,24)