Cas no 24330-58-3 (4-Methylbenzenesulfonic acid [3-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] ester)
![4-Methylbenzenesulfonic acid [3-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] ester structure](https://ossimg.kuujia.com/scimg/24500/24330-58-3x500.png)
24330-58-3 structure
Product Name:4-Methylbenzenesulfonic acid [3-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] ester
CAS No:24330-58-3
MF:C20H26O6S2
MW:426.546844005585
CID:2837392
PubChem ID:18706825
Update Time:2025-04-21
4-Methylbenzenesulfonic acid [3-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] ester Chemical and Physical Properties
Names and Identifiers
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- 4-methylbenzenesulfonic acid [3-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] ester
- DTXSID20595746
- 3-Methyl-2-{[(4-methylbenzene-1-sulfonyl)oxy]methyl}butyl 4-methylbenzene-1-sulfonate
- SCHEMBL8056281
- 24330-58-3
- 4-Methylbenzenesulfonic acid [3-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] ester
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- Inchi： 1S/C20H26O6S2/c1-15(2)18(13-25-27(21,22)19-9-5-16(3)6-10-19)14-26-28(23,24)20-11-7-17(4)8-12-20/h5-12,15,18H,13-14H2,1-4H3
- InChI Key： XTLNVJSPYRYVKI-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)OCC(COS(C1C=CC(C)=CC=1)(=O)=O)C(C)C
Computed Properties
- Exact Mass: 426.11708089Da
- Monoisotopic Mass: 426.11708089Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 9
- Complexity: 602
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 104?2
4-Methylbenzenesulfonic acid [3-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] ester Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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