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Z,Z-Dienestrol-[d2]

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General Information
Catalog: BLP-007635
CAS: 1346606-45-8
Molecular Formula: C18H16D2O2
Molecular Weight: 268.35

Chemical Structure

Description	Z,Z-Dienestrol-[d2] is a labelled metabolite of Diethylstilbestrol.
Synonyms	3,4-Bis(4-hydroxyphenyl)-2,4-hexadiene-d2; β-Dienestrol-d2; 4,4'-[(1Z,2Z)-1,2-Diethylidene-1,2-ethanediyl]bisphenol-d2
IUPAC Name	4-[(2Z,4Z)-2,5-dideuterio-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol
Related CAS	35495-11-5 (unlabelled)
Canonical SMILES	CC=C(C1=CC=C(C=C1)O)C(=CC)C2=CC=C(C=C2)O
InChI	InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3-,18-4-/i3D,4D
InChI Key	NFDFQCUYFHCNBW-RXGZYQEUSA-N
Melting Point	183-185°C (dec.)
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Off-white to Pale Orange Solid
Storage	Store at -20°C