Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H14N4O2.2CH3O3S |
| Molecular Weight | 448.471 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Charge | 0 |
| Stereo Comments | MMB4 is a mixture of three geometric oxime isomers, the EE, the EZ, and the ZZ, with the latter two being present in small (< 5%) amounts. |
SHOW SMILES / InChI
SMILES
CS([O-])(=O)=O.CS([O-])(=O)=O.ON=CC1=CC=[N+](C[N+]2=CC=C(C=NO)C=C2)C=C1
InChI
InChIKey=LIBNJJLUCYWGII-UHFFFAOYSA-N
InChI=1S/C13H12N4O2.2CH4O3S/c18-14-9-12-1-5-16(6-2-12)11-17-7-3-13(4-8-17)10-15-19;2*1-5(2,3)4/h1-10H,11H2;2*1H3,(H,2,3,4)
| 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 | C13H12N4O2 |
| Molecular Weight | 256.26 |
| 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 15:28:32 GMT 2023
by
admin
on
Fri Dec 15 15:28:32 GMT 2023
|
| Record UNII |
XV8U2XT4H7
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| Record Status |
Validated (UNII)
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| Record Version |
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135949116
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1187073-73-9
Created by
admin on Fri Dec 15 15:28:32 GMT 2023 , Edited by admin on Fri Dec 15 15:28:32 GMT 2023
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