Details
Stereochemistry | ACHIRAL |
Molecular Formula | C28H20N5O11S3.C6H15NO3.K.Li.Na |
Molecular Weight | 916.9012 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cc1cc(c(cc1/N=N/c2ccc3cc(cc(c3c2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)/N=N/c4c(cc5cc(ccc5c4[O-])N)S(=O)(=O)O.C(CO)N(CCO)CCO.[K+].[Li+].[Na+]
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 | 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 | Li |
Molecular Weight | 6.94 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C6H12NO3 |
Molecular Weight | 146.1646 |
Charge | -3 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C28H23N5O11S3 |
Molecular Weight | 701.7085 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 2 |
Optical Activity | NONE |
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
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
Sat Jun 26 06:32:52 UTC 2021
by
admin
on
Sat Jun 26 06:32:52 UTC 2021
|
Record UNII |
97C126J8F7
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
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79255-97-3
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44146669
Created by
admin on Sat Jun 26 06:32:52 UTC 2021 , Edited by admin on Sat Jun 26 06:32:52 UTC 2021
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