2-(1,3-benzodioxol-5-yloxy)-6-(4-methylphenoxy)benzoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yloxy)-6-(4-methylphenoxy)benzoic acid Openeye Name: 2-(1,3-benzodioxol-5-yloxy)-6-(4-methylphenoxy)benzoic acid CAS Name: 2-(1,3-benzodioxol-5-yloxy)-6-(4-methylphenoxy)benzoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yloxy)-6-(4-methylphenoxy)benzoic acid Traditional Name: 2-(1,3-benzodioxol-5-yloxy)-6-(4-methylphenoxy)benzoic acid Formula: C21H16O6 MolecularWeight: 364.34814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C(=CC=C2)OC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C(=CC=C2)OC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C21H16O6/c1-13-5-7-14(8-6-13)26-17-3-2-4-18(20(17)21(22)23)27-15-9-10-16-19(11-15)25-12-24-16/h2-11H,12H2,1H3,(H,22,23)