4,4-bis[[2,4,6-tris(bromanyl)phenoxy]methyl]heptanedioic acid

Systemtic Name: 4,4-bis[[2,4,6-tris(bromanyl)phenoxy]methyl]heptanedioic acid Openeye Name: 4,4-bis[(2,4,6-tribromophenoxy)methyl]heptanedioic acid CAS Name: 4,4-bis[(2,4,6-tribromophenoxy)methyl]heptanedioic acid IUPAC Name: 4,4-bis[(2,4,6-tribromophenoxy)methyl]heptanedioic acid Traditional Name: 4,4-bis[(2,4,6-tribromophenoxy)methyl]pimelic acid Formula: C21H18Br6O6 MolecularWeight: 845.78802

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)OCC(CCC(=O)O)(CCC(=O)O)COC2=C(C=C(C=C2Br)Br)Br)Br)Br

Isomeric SMILES

C1=C(C=C(C(=C1Br)OCC(CCC(=O)O)(CCC(=O)O)COC2=C(C=C(C=C2Br)Br)Br)Br)Br

InChI

InChI=1S/C21H18Br6O6/c22-11-5-13(24)19(14(25)6-11)32-9-21(3-1-17(28)29,4-2-18(30)31)10-33-20-15(26)7-12(23)8-16(20)27/h5-8H,1-4,9-10H2,(H,28,29)(H,30,31)