2,7-Naphthalenedisulfonic acid, 3-[[3,3′-dimethyl-4′-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1′-biphenyl]-4-yl]azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]oxy]-, disodium salt

Details

Stereochemistry	ACHIRAL
Molecular Formula	C44H34N4O13S4.2Na
Molecular Weight	1000.999
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 2,7-Naphthalenedisulfonic acid, 3-[[3,3′-dimethyl-4′-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1′-biphenyl]-4-yl]azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]oxy]-, disodium salt

Structure Search

SMILES

[Na+].[Na+].CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)\N=N\C3=CC=C(C=C3C)C4=CC=C(\N=N\C5=C(O)C6=C(OS(=O)(=O)C7=CC=C(C)C=C7)C=C(C=C6C=C5S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C4

InChI

InChIKey=ZRWXOODTQIOLBO-UUYXHWBHSA-L

InChI=1S/C44H36N4O13S4.2Na/c1-26-5-15-35(16-6-26)64(56,57)60-34-13-11-33(12-14-34)45-46-38-19-9-30(21-28(38)3)31-10-20-39(29(4)22-31)47-48-43-41(63(53,54)55)24-32-23-37(62(50,51)52)25-40(42(32)44(43)49)61-65(58,59)36-17-7-27(2)8-18-36;;/h5-25,49H,1-4H3,(H,50,51,52)(H,53,54,55);;/q;2*+1/p-2/b46-45+,48-47+;;

HIDE SMILES / InChI

Molecular Formula	C44H34N4O13S4
Molecular Weight	955.02
Charge	-2
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 Dec 16 11:52:55 GMT 2023` Edited by `admin` on `Sat Dec 16 11:52:55 GMT 2023`
Record UNII	L3R775W396
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,7-Naphthalenedisulfonic acid, 3-[[3,3′-dimethyl-4′-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1′-biphenyl]-4-yl]azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]oxy]-, disodium salt

Systematic Name

English

2,7-Naphthalenedisulfonic acid, 3-[2-[3,3′-dimethyl-4′-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]oxy]-, sodium salt (1:2)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID7071440

Created by admin on Sat Dec 16 11:52:55 GMT 2023 , Edited by admin on Sat Dec 16 11:52:55 GMT 2023

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FDA UNII

L3R775W396

Created by admin on Sat Dec 16 11:52:55 GMT 2023 , Edited by admin on Sat Dec 16 11:52:55 GMT 2023

PRIMARY

ECHA (EC/EINECS)

269-849-4

Created by admin on Sat Dec 16 11:52:55 GMT 2023 , Edited by admin on Sat Dec 16 11:52:55 GMT 2023

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CAS

68345-21-1

Created by admin on Sat Dec 16 11:52:55 GMT 2023 , Edited by admin on Sat Dec 16 11:52:55 GMT 2023

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