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

Systemtic Name: 2,2-bis[[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methyl]hexanedioic acid Openeye Name: 2,2-bis[(3,5-dibromo-2-hydroxy-phenyl)methyl]hexanedioic acid CAS Name: 2,2-bis[(3,5-dibromo-2-hydroxyphenyl)methyl]hexanedioic acid IUPAC Name: 2,2-bis[(3,5-dibromo-2-hydroxyphenyl)methyl]hexanedioic acid Traditional Name: 2,2-bis(3,5-dibromo-2-hydroxy-benzyl)adipic acid Formula: C20H18Br4O6 MolecularWeight: 673.96932

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)O)CC(CCCC(=O)O)(CC2=CC(=CC(=C2O)Br)Br)C(=O)O)Br

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)CC(CCCC(=O)O)(CC2=CC(=CC(=C2O)Br)Br)C(=O)O)Br

InChI

InChI=1S/C20H18Br4O6/c21-12-4-10(17(27)14(23)6-12)8-20(19(29)30,3-1-2-16(25)26)9-11-5-13(22)7-15(24)18(11)28/h4-7,27-28H,1-3,8-9H2,(H,25,26)(H,29,30)