1. Primary Information
| English name: | Malachite Green D5 Picrate |
| CAS No.: | 1258668-21-1 |
| Molecular formula: | C29H27N5O7 |
| Molecular weight: | 562.6 g/mol |
| 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-] |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1ml | 100μg/ml in methanol | 1352 | -20℃ | in stock | - |
| Kehua Intelligence | 1ml | 100μg/ml in acetonitrile | 1352 | -20℃ | in stock | - |
| Kehua Intelligence | 1ml | 50μg/ml in acetonitrile | 496 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 2400 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[4-[[4-(dimethylamino)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;2,4,6-trinitrophenolate
4.2 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;
4.3 InChIKey
HKJSJDRORUIJJI-AYVDECCJSA-M
4.4 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-]
4.5 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-]
