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

Systemtic Name: 2-[[4-(4-oxidanyl-4-oxidanylidene-butyl)phenoxy]methyl]benzoic acid Openeye Name: 2-[[4-(4-hydroxy-4-oxo-butyl)phenoxy]methyl]benzoic acid CAS Name: 2-[[4-(4-hydroxy-4-oxobutyl)phenoxy]methyl]benzoic acid IUPAC Name: 2-[[4-(4-hydroxy-4-oxobutyl)phenoxy]methyl]benzoic acid Traditional Name: 2-[[4-(4-hydroxy-4-keto-butyl)phenoxy]methyl]benzoic acid Formula: C18H18O5 MolecularWeight: 314.33252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O5/c19-17(20)7-3-4-13-8-10-15(11-9-13)23-12-14-5-1-2-6-16(14)18(21)22/h1-2,5-6,8-11H,3-4,7,12H2,(H,19,20)(H,21,22)