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Molecule
Direct Orange 26
CAS: 3626-36-6 · C33H24N6Na2O9S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3626-36-6
- Molecular Formula
- C33H24N6Na2O9S2
- Molecular Mass
- 758.70 g/mol
Identifiers
CAS Registry Number
3626-36-6
SMILES
O=C(Nc1ccc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1.[Na].[Na]
InChI Key
HTAWXFKZFODGSQ-UHFFFAOYSA-N
InChI
InChI=1S/C33H24N6O9S2.2Na/c40-31-25-13-11-23(15-19(25)17-27(49(43,44)45)29(31)38-36-21-7-3-1-4-8-21)34-33(42)35-24-12-14-26-20(16-24)18-28(50(46,47)48)30(32(26)41)39-37-22-9-5-2-6-10-22;;/h1-18,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48);;
Names and Synonyms
- Direct Orange 26 Common Name
- 2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:2) Synonym
- Enianil Brilliant Orange S Synonym
- Erie Fast Orange A Synonym
- Fast Orange S Synonym
- Fast Paper Orange SO Synonym
- Fenamin Orange A Synonym
- Hispamin Fast Orange S Synonym
- Kayaku Direct Fast Orange S Synonym
- Mitsui Direct Fast Orange S Synonym
- Nippon Fast Orange S Synonym
- Nyanza Fast Orange S Synonym
- Paramine Fast Orange S Extra Synonym
- Paramine Fast Orange S New Synonym
- Phenamine Brilliant Orange A Synonym
- Pheno Fast Orange 2RS Synonym
- Pontamine Fast Orange S Synonym
- Tertrodirect Orange S Synonym
- Vondacel Orange SN Synonym
- Chlorazol Fast Orange R Synonym
- Direct Brilliant Orange Synonym
- Brilliant Orange Synonym
- Kayafect Orange S Synonym
- Orbamin Orange S Synonym
- Diphenyl Orange 5G Synonym
- Direct Orange 26 Synonym
- C.I. Direct Orange 26 Synonym
- C.I. Direct Orange 26, disodium salt Synonym
- 2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-3-(phenylazo)-, disodium salt Synonym
- C.I. 29150 Synonym
- Airedale Orange SED Synonym
- Aizen Primula Orange SH Synonym
- Atlantic Fast Orange S Synonym
- Benzanil Fast Orange SE Synonym
- Benzo Fast Orange S Synonym
- Benzo Orange S Synonym
- Benzo Viscose Orange RL Synonym
- Brilliant Direct Orange Synonym
- Brilliant Direct Orange A-CF Synonym
- Calcomine Fast Orange 2R Synonym
- Chloramine Fast Orange S Synonym
- Chloramine Fast Orange SE Synonym
- Chrome Leather Orange SE Synonym
- Diacotton Fast Orange S Synonym
- Diamine Fast Orange S Synonym
- Diaphtamine Fast Orange S Synonym
- Diazol Fast Orange S Synonym
- Diazol Fast Orange SS Synonym
- Diphenyl Fast Orange SE Synonym
- Diphenyl Orange SE Synonym
- Direct Fast Orange S Synonym
- Direct Fast Orange MS Synonym
- Direct Fast Orange SE Synonym
- Direct Fast Orange SN Synonym
- Direct Orange A Synonym
- Direct Orange S Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 758.70 g/mol | CAS Common Chemistry |
| 758.7020000000003 g/mol | RDKit | |
| 758.702 g/mol | RDKit | |
| 760.704 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3)C2O)S(=O)(=O)O)NC=4C=CC=5C(C4)=CC(=C(N=NC=6C=CC=CC6)C5O)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C33H24N6O9S2.2Na/c40-31-25-13-11-23(15-19(25)17-27(49(43,44)45)29(31)38-36-21-7-3-1-4-8-21)34-33(42)35-24-12-14-26-20(16-24)18-28(50(46,47)48)30(32(26)41)39-37-22-9-5-2-6-10-22;;/h1-18,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48);; | CAS Common Chemistry |
| InChI Key | InChIKey=HTAWXFKZFODGSQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Direct Orange 26 | CAS Common Chemistry |
| Heavy Atom Count | 52 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 239.76999999999995 Ų | RDKit |
| 239.77 Ų | RDKit | |
| LogP | 7.610800000000008 | RDKit |
| 7.6108 | RDKit | |
| Molar Refractivity | 196.2401999999998 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 758.0841569080001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 758.70 g/mol. Edit any field — others recompute live.
