Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H19O5S.Na |
| Molecular Weight | 370.395 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@@]12CCC(=O)[C@@]1(C)CCC3=C2CCC4=CC(OS([O-])(=O)=O)=CC=C34
InChI
InChIKey=LLUMKBPKZHXWDL-AKXYIILFSA-M
InChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t16-,18-;/m0./s1
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C18H19O5S |
| Molecular Weight | 347.405 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:24:39 GMT 2023
by
admin
on
Fri Dec 15 16:24:39 GMT 2023
|
| Record UNII |
B825F101CJ
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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61612-83-7
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DTXSID50210637
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admin on Fri Dec 15 16:24:39 GMT 2023 , Edited by admin on Fri Dec 15 16:24:39 GMT 2023
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23676222
Created by
admin on Fri Dec 15 16:24:39 GMT 2023 , Edited by admin on Fri Dec 15 16:24:39 GMT 2023
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B825F101CJ
Created by
admin on Fri Dec 15 16:24:39 GMT 2023 , Edited by admin on Fri Dec 15 16:24:39 GMT 2023
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