Calcium dodecylbenzenesulfonate
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CAS Number 26264-06-2
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Catalog Number io-1907
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Classification Salts
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Molecular Weight 691.1000
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SMILES CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | Benzenesulfonic acid, dodecyl-, calcium salt |
| 2 | calcium;2-dodecylbenzenesulfonate |
| 3 | calcium O-dodecylbenzenesulfonate |
| 4 | CALCIUM DODECYLBENZENESULFONATE |
| 5 | SCHEMBL19083 |
| Molecular Formula | C36H58CaO6S2 |
|---|---|
| Canonical SMILES | CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2] |
| Isomeric SMILES | CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2] |
| Molecular Weight | 691.1000 |
| InChIKey | OOCMUZJPDXYRFD-UHFFFAOYSA-L |
| InChI | InChI=1S/2C18H30O3S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;+2/p-2 |
| XLogP | 0.0000 |
| ExactMass | 690.3301 |
| MonoisotopicMass | 690.3301 |
| TPSA | 131.0000 |
| Complexity | 346.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 6 |
| RotatableBondCount | 22 |
| HeavyAtomCount | 45 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 3 |
| PatentCount | 14731 |
| PatentFamilyCount | 5973 |
| LiteratureCount | 53 |
