Details
| Stereochemistry | MIXED |
| Molecular Formula | C21H29O4.Na |
| Molecular Weight | 368.4423 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 0 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CCCCC(OC(=O)C1(C)CCC(C([O-])=O)C1(C)C)C2=CC=CC=C2
InChI
InChIKey=BQQNNFIQWYZEDL-UHFFFAOYSA-M
InChI=1S/C21H30O4.Na/c1-5-6-12-17(15-10-8-7-9-11-15)25-19(24)21(4)14-13-16(18(22)23)20(21,2)3;/h7-11,16-17H,5-6,12-14H2,1-4H3,(H,22,23);/q;+1/p-1
| 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 |
| Molecular Formula | C21H29O4 |
| Molecular Weight | 345.4526 |
| Charge | -1 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:11:39 GMT 2025
by
admin
on
Mon Mar 31 23:11:39 GMT 2025
|
| Record UNII |
JMI2J3HV6T
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| Record Status |
Validated (UNII)
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| Record Version |
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23690146
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JMI2J3HV6T
Created by
admin on Mon Mar 31 23:11:39 GMT 2025 , Edited by admin on Mon Mar 31 23:11:39 GMT 2025
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4201-91-6
Created by
admin on Mon Mar 31 23:11:39 GMT 2025 , Edited by admin on Mon Mar 31 23:11:39 GMT 2025
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224-107-9
Created by
admin on Mon Mar 31 23:11:39 GMT 2025 , Edited by admin on Mon Mar 31 23:11:39 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
