Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H17O5S.Na |
| Molecular Weight | 368.379 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].C[C@]12CCC3=C4C=CC(OS([O-])(=O)=O)=CC4=CC=C3[C@@H]1CCC2=O
InChI
InChIKey=QMLVWIVCALQEEX-AKXYIILFSA-M
InChI=1S/C18H18O5S.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;/h2-5,10,16H,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t16-,18-;/m0./s1
| Molecular Formula | C18H17O5S |
| Molecular Weight | 345.39 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:08:26 GMT 2025
by
admin
on
Mon Mar 31 18:08:26 GMT 2025
|
| Record UNII |
P4I906T03M
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C2181
Created by
admin on Mon Mar 31 18:08:26 GMT 2025 , Edited by admin on Mon Mar 31 18:08:26 GMT 2025
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P4I906T03M
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23703433
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DTXSID60937247
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C80786
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240-728-8
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16680-48-1
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admin on Mon Mar 31 18:08:26 GMT 2025 , Edited by admin on Mon Mar 31 18:08:26 GMT 2025
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