1. Primary Information
| English name: | 2-(4-Chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one |
| CAS No.: | 9012-83-3 |
| Molecular formula: | C66H40Cl6F2O9 |
| Molecular weight: | 1227.7 g/mol |
| SMILES: | C1=CC(=CC=C1C=C2C(OC3=C(C2=O)C=C(C=C3)O)C4=CC=C(C=C4)F)F.C1=CC(=CC=C1C=C2C(OC3=C(C2=O)C=C(C=C3)O)C4=CC=C(C=C4)Cl)Cl.C1=CC(=C(C=C1C=C2C(OC3=C(C2=O)C=C(C=C3)O)C4=CC(=C(C=C4)Cl)Cl)Cl)Cl |
| Structural class: | |
| Other identifiers: |
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2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25U | 来源：Klebsiella pneumoniae；≥0.20 unit/mg solid | 800 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100U | 来源：Klebsiella pneumoniae；≥0.20 unit/mg solid | 2800 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one
4.2 InChI
InChI=1S/C22H12Cl4O3.C22H14Cl2O3.C22H14F2O3/c23-16-4-1-11(8-18(16)25)7-15-21(28)14-10-13(27)3-6-20(14)29-22(15)12-2-5-17(24)19(26)9-12;2*23-15-5-1-13(2-6-15)11-19-21(26)18-12-17(25)9-10-20(18)27-22(19)14-3-7-16(24)8-4-14/h1-10,22,27H;2*1-12,22,25H
4.3 InChIKey
WBADKMLOQVKUSC-UHFFFAOYSA-N
4.4 Canonical SMILES
C1=CC(=CC=C1C=C2C(OC3=C(C2=O)C=C(C=C3)O)C4=CC=C(C=C4)F)F.C1=CC(=CC=C1C=C2C(OC3=C(C2=O)C=C(C=C3)O)C4=CC=C(C=C4)Cl)Cl.C1=CC(=C(C=C1C=C2C(OC3=C(C2=O)C=C(C=C3)O)C4=CC(=C(C=C4)Cl)Cl)Cl)Cl
4.5 Isomeric SMILES
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