| SpectraBase Spectrum ID |
4IHGOEexjTd |
| Name |
1,3-PROPANEDIOL, 2-(HYDROXYMETHYL)-2-METHYL-, TRIS(4-METHYLBENZENESULFONATE) |
| Copyright |
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula |
C26H30O9S3 |
| InChI |
InChI=1S/C26H30O9S3/c1-20-5-11-23(12-6-20)36(27,28)33-17-26(4,18-34-37(29,30)24-13-7-21(2)8-14-24)19-35-38(31,32)25-15-9-22(3)10-16-25/h5-16H,17-19H2,1-4H3 |
| InChIKey |
OISZLYCPHKTMGI-UHFFFAOYSA-N |
| Molecular Weight |
582.1044 |
| SMILES |
Cc1ccc(S(OCC(C)(COS(c2ccc(C)cc2)(=O)=O)COS(=O)(=O)c2ccc(C)cc2)(=O)=O)cc1 |
| SPLASH |
splash10-052f-9500000000-14d898c0c6302b0dd744 |
| Source of Spectrum |
Chemical Concepts, A Wiley Division, Weinheim, Germany |
