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Benz[a]anthracene-[d12]

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General Information
Catalog: BLP-011025
CAS: 1718-53-2
Molecular Formula: C18D12
Molecular Weight: 240.36

Chemical Structure

Synonyms	1,2-Benzanthracene-d12; Tetraphene-d12; Benz[a]anthracene-d12
IUPAC Name	1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[a]anthracene
Related CAS	56-55-3 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C(C4=C(C(=C(C(=C4C(=C32)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
Canonical SMILES	C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32
InChI	InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChI Key	DXBHBZVCASKNBY-AQZSQYOVSA-N
Melting Point	157-159°C (lit.)
Purity	99% by CP; 98% atom D
Storage	Store at -20°C