Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C11H12Cl2N2O5.C4H6O4.C2H7NO |
Molecular Weight | 502.301 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NCCO.OC(=O)CCC(O)=O.OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O
InChI
InChIKey=GLOVPJIOQKHINH-UONRGADFSA-N
InChI=1S/C11H12Cl2N2O5.C4H6O4.C2H7NO/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20;5-3(6)1-2-4(7)8;3-1-2-4/h1-4,8-10,16-17H,5H2,(H,14,18);1-2H2,(H,5,6)(H,7,8);4H,1-3H2/t8-,9-;;/m1../s1
Molecular Formula | C4H6O4 |
Molecular Weight | 118.088 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C11H12Cl2N2O5 |
Molecular Weight | 323.129 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C2H7NO |
Molecular Weight | 61.0831 |
Charge | 0 |
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
Fri Dec 15 15:50:11 UTC 2023
by
admin
on
Fri Dec 15 15:50:11 UTC 2023
|
Record UNII |
FMO6OC31WV
|
Record Status |
Validated (UNII)
|
Record Version |
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-
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Systematic Name | English |
Code System | Code | Type | Description | ||
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131801044
Created by
admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
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PRIMARY | |||
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FMO6OC31WV
Created by
admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
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20369-85-1
Created by
admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |