3-[[4-(1,3-benzodioxol-5-yl)phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-yl)phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-(1,3-benzodioxol-5-yl)phenoxy]methyl]benzoic acid CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-(1,3-benzodioxol-5-yl)phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-(1,3-benzodioxol-5-yl)phenoxy]methyl]benzoic acid Formula: C21H16O5 MolecularWeight: 348.34874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)OCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)OCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H16O5/c22-21(23)17-3-1-2-14(10-17)12-24-18-7-4-15(5-8-18)16-6-9-19-20(11-16)26-13-25-19/h1-11H,12-13H2,(H,22,23)