Sunset Yellow FCF
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CAS Number 2783-94-0
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Catalog Number io-60234
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Classification Azo
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Molecular Weight 452.4000
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SMILES C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+]
| Size | QTY | Notes | |
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Sunset Yellow FCF is an organic molecular entity.
| 1 | Sunset Yellow FCF |
| 2 | Sunset yellow |
| 3 | Food yellow 3 |
| 4 | C.I. Food Yellow 3 |
| 5 | FD&C Yellow 6 |
| Molecular Formula | C16H10N2Na2O7S2 |
|---|---|
| Canonical SMILES | C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+] |
| Isomeric SMILES | C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+] |
| Molecular Weight | 452.4000 |
| InChIKey | OIQPTROHQCGFEF-UHFFFAOYSA-L |
| InChI | InChI=1S/C16H12N2O7S2.2Na/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2 |
| XLogP | 0.0000 |
| ExactMass | 451.9725 |
| MonoisotopicMass | 451.9725 |
| TPSA | 176.0000 |
| Complexity | 722.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 9 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 29 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 3 |
| PatentCount | 23580 |
| PatentFamilyCount | 10304 |
| LiteratureCount | 242 |
