Ponceau SX
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CAS Number 4548-53-2
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Catalog Number io-63370
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Classification Azo
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Molecular Weight 480.4000
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SMILES CC1=CC(=C(C=C1N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])O)S(=O)(=O)[O-])C.[Na+].[Na+]
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | Ponceau SX |
| 2 | C.I. Food Red 1 |
| 3 | Food red 1 |
| 4 | Crimson 4R |
| 5 | FD&C Red No. 4 |
| Molecular Formula | C18H14N2Na2O7S2 |
|---|---|
| Canonical SMILES | CC1=CC(=C(C=C1N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])O)S(=O)(=O)[O-])C.[Na+].[Na+] |
| Isomeric SMILES | CC1=CC(=C(C=C1N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])O)S(=O)(=O)[O-])C.[Na+].[Na+] |
| Molecular Weight | 480.4000 |
| InChIKey | ONTQJDKFANPPKK-UHFFFAOYSA-L |
| InChI | InChI=1S/C18H16N2O7S2.2Na/c1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2 |
| XLogP | 0.0000 |
| ExactMass | 480.0038 |
| MonoisotopicMass | 480.0038 |
| TPSA | 176.0000 |
| Complexity | 792.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 9 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 31 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 3 |
| PatentCount | 4711 |
| PatentFamilyCount | 2146 |
| LiteratureCount | 21 |
