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	916.9012
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

Structure Search

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

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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 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