| SpectraBase Spectrum ID |
28zvc7FWIPM |
| Name |
Toluene-4-sulfonic acid 3-hydroxy-2-[2-((1S,2S)-2-hydroxy-2,6,6-trimethyl-cyclohexyl)-ethyl]-butyl ester |
| Alternate Name(s) |
2-[2'-(2''-Hydroxy-2'',6'',6''-trimethylcyclohexyl)ethyl]-3-hydroxybutyl p-methylbenzenesulfonate
4-Methylbenzenesulfonic acid[3-hydroxy-2-[2-[(1S,2S)-2-hydroxy-2,6,6-trimethyl-cyclohexyl]ethyl]butyl]ester
[3-hydroxy-2-[2-[(1S,2S)-2-hydroxy-2,6,6-trimethyl-cyclohexyl]ethyl]butyl]4-methylbenzenesulfonate
[3-oxidanyl-2-[2-[(1S,6S)-2,2,6-trimethyl-6-oxidanyl-cyclohexyl]ethyl]butyl]4-methylbenzenesulfonate
4-Methylbenzenesulfonic acid [3-hydroxy-2-[2-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]ethyl]butyl] ester
[3-hydroxy-2-[2-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]ethyl]butyl] 4-methylbenzenesulfonate
[3-hydroxy-2-[2-[(1S,2S)-2-hydroxy-2,6,6-trimethyl-cyclohexyl]ethyl]butyl] 4-methylbenzenesulfonate
[3-oxidanyl-2-[2-[(1S,6S)-2,2,6-trimethyl-6-oxidanyl-cyclohexyl]ethyl]butyl] 4-methylbenzenesulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H36O5S |
| InChI |
InChI=1S/C22H36O5S/c1-16-7-10-19(11-8-16)28(25,26)27-15-18(17(2)23)9-12-20-21(3,4)13-6-14-22(20,5)24/h7-8,10-11,17-18,20,23-24H,6,9,12-15H2,1-5H3/t17?,18?,20-,22-/m0/s1 |
| InChIKey |
AIGSYMJYECLZQB-IQDQWBFVSA-N |
| Molecular Weight |
412.585 g/mol |
| SMILES |
O[C@@]1([C@@](CCC(C(O)C)COS(c2ccc(cc2)C)(=O)=O)(C(CCC1)(C)C)[H])C |
| SPLASH |
splash10-0537-9300000000-4f3ec68d52d07c2b98db |
| Source of Spectrum |
MZ-34-193-15 |
| Wiley ID |
1582070 |
![Toluene-4-sulfonic acid 3-hydroxy-2-[2-((1S,2S)-2-hydroxy-2,6,6-trimethyl-cyclohexyl)-ethyl]-butyl ester](/api/spectrum/28zvc7FWIPM/structure.png?h=300&w=458 "Toluene-4-sulfonic acid 3-hydroxy-2-[2-((1S,2S)-2-hydroxy-2,6,6-trimethyl-cyclohexyl)-ethyl]-butyl ester")
