6-bromanyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 6-bromanyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid Openeye Name: 6-bromo-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid CAS Name: 6-bromo-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 6-bromo-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid Traditional Name: 6-bromo-2,2-diphenyl-piperonylic acid Formula: C20H13BrO4 MolecularWeight: 397.21882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(OC3=C(O2)C=C(C(=C3)C(=O)O)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2(OC3=C(O2)C=C(C(=C3)C(=O)O)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H13BrO4/c21-16-12-18-17(11-15(16)19(22)23)24-20(25-18,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H,(H,22,23)