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

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

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

Structure Search

SMILES

[Li+].[Na+].[K+].OCCN(CCO)CCO.COC1=C(C=C(C)C(=C1)\N=N\C2=CC3=C(C=C(C=C3C=C2)S([O-])(=O)=O)S([O-])(=O)=O)\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+;;;;

HIDE SMILES / InChI

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

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	Na
Molecular Weight	22.9898
Charge	1
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	C6H12NO3
Molecular Weight	146.1644
Charge	-3
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 `Fri Dec 15 17:45:13 UTC 2023` Edited by `admin` on `Fri Dec 15 17:45:13 UTC 2023`
Record UNII	97C126J8F7
Record Status	`Validated (UNII)`
Record Version

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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 Fri Dec 15 17:45:13 UTC 2023 , Edited by admin on Fri Dec 15 17:45:13 UTC 2023

PRIMARY

CAS

79255-97-3

Created by admin on Fri Dec 15 17:45:13 UTC 2023 , Edited by admin on Fri Dec 15 17:45:13 UTC 2023

PRIMARY

PUBCHEM

44146669

Created by admin on Fri Dec 15 17:45:13 UTC 2023 , Edited by admin on Fri Dec 15 17:45:13 UTC 2023

PRIMARY

EPA CompTox

DTXSID401014052

Created by admin on Fri Dec 15 17:45:13 UTC 2023 , Edited by admin on Fri Dec 15 17:45:13 UTC 2023

PRIMARY

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