| SpectraBase Spectrum ID |
B3n2QzdS0dU |
| Name |
Sulfuric acid, 5,8,11-heptadecatrienyl methyl ester |
| Alternate Name(s) |
(5E,8E,11E)-5,8,11-Heptadecatrienyl methyl sulfite
[(5E,8E,11E)-heptadeca-5,8,11-trienyl] methyl sulfite |
| CAS Registry Number |
56554-67-7 |
| Comments |
Structure changed after expert review |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H32O3S |
| InChI |
InChI=1S/C18H32O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19)20-2/h7-8,10-11,13-14H,3-6,9,12,15-18H2,1-2H3/b8-7+,11-10+,14-13+ |
| InChIKey |
QSJXEJHZXLDMBJ-SPOHZTNBSA-N |
| Molecular Weight |
328.511 g/mol |
| SMILES |
C(CCCOS(OC)=O)\C=C\C\C=C\C\C=C\CCCCC |
| SPLASH |
splash10-005c-9200000000-158984726ac083d2872d |
| Source of Spectrum |
EP-4906-0-0 |
| Wiley ID |
1326293 |
