2-[[4-(8-oxidanyl-8-oxidanylidene-octyl)phenoxy]methyl]benzoic acid

Systemtic Name: 2-[[4-(8-oxidanyl-8-oxidanylidene-octyl)phenoxy]methyl]benzoic acid Openeye Name: 2-[[4-(8-hydroxy-8-oxo-octyl)phenoxy]methyl]benzoic acid CAS Name: 2-[[4-(8-hydroxy-8-oxooctyl)phenoxy]methyl]benzoic acid IUPAC Name: 2-[[4-(8-hydroxy-8-oxooctyl)phenoxy]methyl]benzoic acid Traditional Name: 2-[[4-(8-hydroxy-8-keto-octyl)phenoxy]methyl]benzoic acid Formula: C22H26O5 MolecularWeight: 370.43884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O5/c23-21(24)11-5-3-1-2-4-8-17-12-14-19(15-13-17)27-16-18-9-6-7-10-20(18)22(25)26/h6-7,9-10,12-15H,1-5,8,11,16H2,(H,23,24)(H,25,26)