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Reference substances

Reference substances

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General information

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Reference substance information

IUPAC name:
1-(2,6-Dibromo-4-{1-[3,5-dibromo-4-(2-hydroxypropoxy)phenyl]-1-methylethyl}phenoxy)-2-propanol
Synonyms
Names:
Identifier:
CAS number
38661-68-6
Identifier:
IUPAC name
1-(2,6-Dibromo-4-{1-[3,5-dibromo-4-(2-hydroxypropoxy)phenyl]-1-methylethyl}phenoxy)-2-propanol

CAS information

CAS number:
38661-68-6

Molecular and structural information

Molecular formula:
C21 H24 Br4 O4
Molecular weight:
660.03
SMILES notation:
C1(Br)C(OCC(C)O)=C(C=C(C=1)C(C)(C)C(C=C(Br)C1OCC(C)O)=CC=1Br)Br
InChl:
InChI=1S/C21H24Br4O4/c1-11(26)9-28-19-15(22)5-13(6-16(19)23)21(3,4)14-7-17(24)20(18(25)8-14)29-10-12(2)27/h5-8,11-12,26-27H,9-10H2,1-4H3
Structural formula:
Chemical structure