Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H18ClNO.C4H4O4 |
| Molecular Weight | 403.856 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN1CCC2=CC(Cl)=C(O)C=C2[C@H](C1)C3=CC=CC=C3
InChI
InChIKey=FGHVSEXHEAUJBT-HFNHQGOYSA-N
InChI=1S/C17H18ClNO.C4H4O4/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12;5-3(6)1-2-4(7)8/h2-6,9-10,15,20H,7-8,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m1./s1
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C17H18ClNO |
| Molecular Weight | 287.784 |
| 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
Fri Dec 15 16:46:10 UTC 2023
by
admin
on
Fri Dec 15 16:46:10 UTC 2023
|
| Record UNII |
3T51J24N1F
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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3T51J24N1F
Created by
admin on Fri Dec 15 16:46:10 UTC 2023 , Edited by admin on Fri Dec 15 16:46:10 UTC 2023
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87134-87-0
Created by
admin on Fri Dec 15 16:46:10 UTC 2023 , Edited by admin on Fri Dec 15 16:46:10 UTC 2023
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6440792
Created by
admin on Fri Dec 15 16:46:10 UTC 2023 , Edited by admin on Fri Dec 15 16:46:10 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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