2-(1,3-benzodioxol-5-yloxy)-6-(2-bromanyl-4-methyl-phenoxy)benzoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yloxy)-6-(2-bromanyl-4-methyl-phenoxy)benzoic acid Openeye Name: 2-(1,3-benzodioxol-5-yloxy)-6-(2-bromo-4-methyl-phenoxy)benzoic acid CAS Name: 2-(1,3-benzodioxol-5-yloxy)-6-(2-bromo-4-methylphenoxy)benzoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yloxy)-6-(2-bromo-4-methylphenoxy)benzoic acid Traditional Name: 2-(1,3-benzodioxol-5-yloxy)-6-(2-bromo-4-methyl-phenoxy)benzoic acid Formula: C21H15BrO6 MolecularWeight: 443.2442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC=CC(=C2C(=O)O)OC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC=CC(=C2C(=O)O)OC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C21H15BrO6/c1-12-5-7-15(14(22)9-12)28-18-4-2-3-17(20(18)21(23)24)27-13-6-8-16-19(10-13)26-11-25-16/h2-10H,11H2,1H3,(H,23,24)