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

Systemtic Name: 2-[[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methyl]hexanedioate Openeye Name: 2-[(3,5-dibromo-2-hydroxy-phenyl)methyl]hexanedioate CAS Name: 2-[(3,5-dibromo-2-hydroxyphenyl)methyl]hexanedioate IUPAC Name: 2-[(3,5-dibromo-2-hydroxyphenyl)methyl]hexanedioate Traditional Name: 2-(3,5-dibromo-2-hydroxy-benzyl)adipate Formula: C13H12Br2O5-2 MolecularWeight: 408.03938

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)O)CC(CCCC(=O)[O-])C(=O)[O-])Br

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)CC(CCCC(=O)[O-])C(=O)[O-])Br

InChI

InChI=1S/C13H14Br2O5/c14-9-5-8(12(18)10(15)6-9)4-7(13(19)20)2-1-3-11(16)17/h5-7,18H,1-4H2,(H,16,17)(H,19,20)/p-2