1. Primary Information
| English name: | Direct Red 80 |
| CAS No.: | 2610-10-8 |
| Molecular formula: | C45H26N10NA6O21S6 |
| Molecular weight: | 1373.1 g/mol |
| SMILES: | C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)NC(=O)NC5=CC6=CC(=C(C(=C6C=C5)O)N=NC7=C(C=C(C=C7)N=NC8=CC=C(C=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| Structural class: | |
| Other identifiers: |
2-naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis(4-hydroxy-3-(2-(2-sulfo-4-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-, sodium salt (1:6) C.I. direct red 80 C.I. direct red 80, hexasodium salt direct red 80 picrosirius red |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5g | BS | 120 | RT | in stock | - |
| Kehua Intelligence | 25g | BS | 440 | RT | in stock | - |
| Kehua Intelligence | 5g | AR | 134 | RT | in stock | - |
| Kehua Intelligence | 25g | AR | 470 | RT | in stock | - |
| Kehua Intelligence | 100g | AR | 1680 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
hexasodium;4-hydroxy-7-[[5-hydroxy-7-sulfonato-6-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalen-2-yl]carbamoylamino]-3-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate
4.2 InChI
InChI=1S/C45H32N10O21S6.6Na/c56-43-33-13-5-27(17-23(33)19-39(81(71,72)73)41(43)54-52-35-15-7-29(21-37(35)79(65,66)67)50-48-25-1-9-31(10-2-25)77(59,60)61)46-45(58)47-28-6-14-34-24(18-28)20-40(82(74,75)76)42(44(34)57)55-53-36-16-8-30(22-38(36)80(68,69)70)51-49-26-3-11-32(12-4-26)78(62,63)64;;;;;;/h1-22,56-57H,(H2,46,47,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;;/q;6*+1/p-6
4.3 InChIKey
YIQKLZYTHXTDDT-UHFFFAOYSA-H
4.4 Canonical SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)NC(=O)NC5=CC6=CC(=C(C(=C6C=C5)O)N=NC7=C(C=C(C=C7)N=NC8=CC=C(C=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
4.5 Isomeric SMILES
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