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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
Structure of LITHIUM POTASSIUM SODIUM TRIETHANOLAMMONIUM 7-((4-((6-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHALENYL)AZO)-5-METHOXY-2-METHYLPHENYL)AZO)-1,3-NAPHTHALENEDISULFONATE

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+;;;;

HIDE SMILES / InChI

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 Sat Jun 26 06:32:52 UTC 2021
Edited
by admin
on Sat Jun 26 06:32:52 UTC 2021
Record UNII
97C126J8F7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LITHIUM POTASSIUM SODIUM TRIETHANOLAMMONIUM 7-((4-((6-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHALENYL)AZO)-5-METHOXY-2-METHYLPHENYL)AZO)-1,3-NAPHTHALENEDISULFONATE
Common Name English
Code System Code Type Description
FDA UNII
97C126J8F7
Created by admin on Sat Jun 26 06:32:52 UTC 2021 , Edited by admin on Sat Jun 26 06:32:52 UTC 2021
PRIMARY
CAS
79255-97-3
Created by admin on Sat Jun 26 06:32:52 UTC 2021 , Edited by admin on Sat Jun 26 06:32:52 UTC 2021
PRIMARY
PUBCHEM
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
PRIMARY
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