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Benzo[e]pyrene-[d12]

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General Information
Catalog: BLP-011038
CAS: 205440-82-0
Molecular Formula: C20D12
Molecular Weight: 264.38

Chemical Structure

Synonyms	4,5-Benzopyrene-d12; Benzo[e]pyrene-d12; (2H12)Benzo[e]pyrene
IUPAC Name	1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[e]pyrene
Related CAS	192-97-2 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C2C(=C1[2H])C3=C(C(=C(C4=C3C5=C(C(=C(C(=C25)[2H])[2H])[2H])C(=C4[2H])[2H])[2H])[2H])[2H])[2H])[2H]
Canonical SMILES	C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4
InChI	InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChI Key	TXVHTIQJNYSSKO-AQZSQYOVSA-N
Melting Point	177-180°C (lit.)
Purity	98% by CP; 98% atom D