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Malachite Green-[d5] Picrate

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General Information
Catalog: BLP-012426
CAS: 1258668-21-1
Molecular Formula: C29H22D5N5O7
Molecular Weight: 562.59

Chemical Structure

Description	Malachite Green-[d5] Picrate is the labelled analogue of Malachite Green, which is used as a dyestuff as well as an antimicrobial in aquaculture.
Synonyms	Malachite Green D5 Picrate
IUPAC Name	[4-[[4-(dimethylamino)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;2,4,6-trinitrophenolate
Related CAS	569-64-2 (unlabelled free base)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C)[2H])[2H].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
Canonical SMILES	CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI	InChI=1S/C23H25N2.C6H3N3O7/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-17H,1-4H3;1-2,10H/q+1;/p-1/i5D,6D,7D,8D,9D;
InChI Key	HKJSJDRORUIJJI-AYVDECCJSA-M
Purity	95% by HPLC; 98% atom D