Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C28H20N5O11S3.C6H15NO3.K.Li.Na |
| Molecular Weight | 916.898 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Li+].[Na+].[K+].OCCN(CCO)CCO.COC1=CC(\N=N\C2=CC=C3C=C(C=C(C3=C2)S([O-])(=O)=O)S([O-])(=O)=O)=C(C)C=C1\N=N\C4=C(C=C5C=C(N)C=CC5=C4O)S([O-])(=O)=O
InChI
InChIKey=OMYYAFNCAPWVKF-TWEFBAQVSA-K
InChI=1S/C28H23N5O11S3.C6H15NO3.K.Li.Na/c1-14-7-23(32-33-27-26(47(41,42)43)10-16-8-17(29)4-6-20(16)28(27)34)24(44-2)13-22(14)31-30-18-5-3-15-9-19(45(35,36)37)12-25(21(15)11-18)46(38,39)40;8-4-1-7(2-5-9)3-6-10;;;/h3-13,34H,29H2,1-2H3,(H,35,36,37)(H,38,39,40)(H,41,42,43);8-10H,1-6H2;;;/q;;3*+1/p-3/b31-30+,33-32+;;;;
| Molecular Formula | C6H12NO3 |
| Molecular Weight | 146.1644 |
| Charge | -3 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | K |
| Molecular Weight | 39.0983 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Li |
| Molecular Weight | 6.941 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C28H23N5O11S3 |
| Molecular Weight | 701.704 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:51:31 GMT 2025
by
admin
on
Mon Mar 31 18:51:31 GMT 2025
|
| Record UNII |
97C126J8F7
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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