Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H16ClNO3.CH4O3S |
| Molecular Weight | 401.862 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.OC1=CC=C(C=C1)[C@@H]2CNCCC3=C(Cl)C(O)=C(O)C=C23
InChI
InChIKey=CVKUMNRCIJMVAR-ZOWNYOTGSA-N
InChI=1S/C16H16ClNO3.CH4O3S/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;1-5(2,3)4/h1-4,7,13,18-21H,5-6,8H2;1H3,(H,2,3,4)/t13-;/m0./s1
| Molecular Formula | CH4O3S |
| Molecular Weight | 96.106 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C16H16ClNO3 |
| Molecular Weight | 305.756 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:06:35 GMT 2025
by
admin
on
Mon Mar 31 23:06:35 GMT 2025
|
| Record UNII |
OWC5OAB2U6
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Preferred Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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87863-87-4
Created by
admin on Mon Mar 31 23:06:35 GMT 2025 , Edited by admin on Mon Mar 31 23:06:35 GMT 2025
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OWC5OAB2U6
Created by
admin on Mon Mar 31 23:06:35 GMT 2025 , Edited by admin on Mon Mar 31 23:06:35 GMT 2025
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PRIMARY | |||
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72695517
Created by
admin on Mon Mar 31 23:06:35 GMT 2025 , Edited by admin on Mon Mar 31 23:06:35 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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RACEMATE -> ENANTIOMER |