Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C15H18ClO4.Na.H2O |
| Molecular Weight | 338.759 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[Na+].[O-]C(=O)[C@@]2(CCCCCCOC1=CC=C(Cl)C=C1)CO2
InChI
InChIKey=WENJLJJSJDAJDN-QCUBGVIVSA-M
InChI=1S/C15H19ClO4.Na.H2O/c16-12-5-7-13(8-6-12)19-10-4-2-1-3-9-15(11-20-15)14(17)18;;/h5-8H,1-4,9-11H2,(H,17,18);;1H2/q;+1;/p-1/t15-;;/m1../s1
| Molecular Formula | C15H18ClO4 |
| Molecular Weight | 297.754 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:08:15 GMT 2023
by
admin
on
Sat Dec 16 19:08:15 GMT 2023
|
| Record UNII |
AN6577AM7P
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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AN6577AM7P
Created by
admin on Sat Dec 16 19:08:15 GMT 2023 , Edited by admin on Sat Dec 16 19:08:15 GMT 2023
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PRIMARY | |||
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23675376
Created by
admin on Sat Dec 16 19:08:15 GMT 2023 , Edited by admin on Sat Dec 16 19:08:15 GMT 2023
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PRIMARY | |||
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1049724-28-8
Created by
admin on Sat Dec 16 19:08:15 GMT 2023 , Edited by admin on Sat Dec 16 19:08:15 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
|
||
|
ANHYDROUS->SOLVATE |
