Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H16ClNO2S.H2O4S |
Molecular Weight | 419.9 |
Optical Activity | ( - ) |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.COC(=O)[C@H](N1CCC2=C(C1)C=CS2)C3=CC=CC=C3Cl
InChI
InChIKey=FDEODCTUSIWGLK-XFULWGLBSA-N
InChI=1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)/t15-;/m1./s1
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C16H16ClNO2S |
Molecular Weight | 321.822 |
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
Sat Dec 16 19:12:45 UTC 2023
by
admin
on
Sat Dec 16 19:12:45 UTC 2023
|
Record UNII |
39KXS67R6V
|
Record Status |
Validated (UNII)
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Record Version |
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-
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120202-71-3
Created by
admin on Sat Dec 16 19:12:45 UTC 2023 , Edited by admin on Sat Dec 16 19:12:45 UTC 2023
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1140600
Created by
admin on Sat Dec 16 19:12:45 UTC 2023 , Edited by admin on Sat Dec 16 19:12:45 UTC 2023
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39KXS67R6V
Created by
admin on Sat Dec 16 19:12:45 UTC 2023 , Edited by admin on Sat Dec 16 19:12:45 UTC 2023
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10002188
Created by
admin on Sat Dec 16 19:12:45 UTC 2023 , Edited by admin on Sat Dec 16 19:12:45 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ENANTIOMER -> ENANTIOMER |
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