2-[[4-(5-oxidanyl-5-oxidanylidene-pentan-2-yl)phenoxy]methyl]benzoic acid

Systemtic Name: 2-[[4-(5-oxidanyl-5-oxidanylidene-pentan-2-yl)phenoxy]methyl]benzoic acid Openeye Name: 2-[[4-(4-hydroxy-1-methyl-4-oxo-butyl)phenoxy]methyl]benzoic acid CAS Name: 2-[[4-(5-hydroxy-5-oxopentan-2-yl)phenoxy]methyl]benzoic acid IUPAC Name: 2-[[4-(5-hydroxy-5-oxopentan-2-yl)phenoxy]methyl]benzoic acid Traditional Name: 2-[[4-(4-hydroxy-4-keto-1-methyl-butyl)phenoxy]methyl]benzoic acid Formula: C19H20O5 MolecularWeight: 328.3591

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(CCC(=O)O)C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H20O5/c1-13(6-11-18(20)21)14-7-9-16(10-8-14)24-12-15-4-2-3-5-17(15)19(22)23/h2-5,7-10,13H,6,11-12H2,1H3,(H,20,21)(H,22,23)