C.I. Vat Yellow 4
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CAS Number 128-66-5
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Catalog Number io-2024
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Classification Hydrocarbons
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Molecular Weight 332.3000
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SMILES C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O
| Size | QTY | Notes | |
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Vat Yellow 4 is an ortho- and peri-fused polycyclic arene.
| 1 | Vat yellow 4 |
| 2 | C.I. Vat Yellow 4 |
| 3 | Dibenzo[B,def]chrysene-7,14-dione |
| 4 | Tyrion Yellow |
| 5 | Tyrian Yellow I-GOK |
| Molecular Formula | C24H12O2 |
|---|---|
| Canonical SMILES | C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O |
| Isomeric SMILES | C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O |
| Molecular Weight | 332.3000 |
| InChIKey | ZTWQZJLUUZHJGS-UHFFFAOYSA-N |
| InChI | InChI=1S/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H |
| XLogP | 5.4000 |
| ExactMass | 332.0837 |
| MonoisotopicMass | 332.0837 |
| TPSA | 34.1000 |
| Complexity | 570.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 26 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 2253 |
| PatentFamilyCount | 1476 |
| LiteratureCount | 27 |
