| SpectraBase Spectrum ID |
BuxeECelSEs |
| Name |
4-Pentene-1,2,5-tricarboxylic acid, 4-(phenylthio)-, trimethyl ester, (Z)- |
| CAS Registry Number |
102736-42-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20O6S |
| InChI |
InChI=1S/C17H20O6S/c1-21-15(18)10-12(17(20)23-3)9-14(11-16(19)22-2)24-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3/b14-11- |
| InChIKey |
JMLAVQZIIKIULN-KAMYIIQDSA-N |
| Molecular Weight |
352.401 g/mol |
| SMILES |
C(\C(=C\C(=O)OC)Sc1ccccc1)C(C(=O)OC)CC(=O)OC |
| SPLASH |
splash10-0059-9455000000-6843b701075ed308dfe7 |
| Source of Spectrum |
J-51-3016-18 |
| Synonyms |
Dimethyl (Z)-3-(phenylthio)-5-(methoxycarbonyl)-2-adepate
Trimethyl (4Z)-4-(phenylsulfanyl)-4-pentene-1,2,5-tricarboxylate |
| Wiley ID |
1343060 |
