2-[bis[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methyl]benzoic acid

Systemtic Name: 2-[bis[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methyl]benzoic acid Openeye Name: 2-[bis(3,5-dibromo-4-hydroxy-phenyl)methyl]benzoic acid CAS Name: 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoic acid IUPAC Name: 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoic acid Traditional Name: 2-[bis(3,5-dibromo-4-hydroxy-phenyl)methyl]benzoic acid Formula: C20H12Br4O4 MolecularWeight: 635.92288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=CC(=C(C(=C2)Br)O)Br)C3=CC(=C(C(=C3)Br)O)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(C2=CC(=C(C(=C2)Br)O)Br)C3=CC(=C(C(=C3)Br)O)Br)C(=O)O

InChI

InChI=1S/C20H12Br4O4/c21-13-5-9(6-14(22)18(13)25)17(10-7-15(23)19(26)16(24)8-10)11-3-1-2-4-12(11)20(27)28/h1-8,17,25-26H,(H,27,28)