DIRECT BLUE 80

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H14N4O16S4.2Cu.4Na
Molecular Weight	1057.782
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].[Cu++].[Cu++].[O-]C1=C(C=CC(=C1)C2=CC([O-])=C(C=C2)\N=N\C3=C([O-])C(=CC4=C3C=CC(=C4)S([O-])(=O)=O)S([O-])(=O)=O)\N=N\C5=C([O-])C(=CC6=C5C=CC(=C6)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=FTGXCLZZPPMCHU-YVPKWBBTSA-F

InChI=1S/C32H22N4O16S4.2Cu.4Na/c37-25-11-15(1-7-23(25)33-35-29-21-5-3-19(53(41,42)43)9-17(21)13-27(31(29)39)55(47,48)49)16-2-8-24(26(38)12-16)34-36-30-22-6-4-20(54(44,45)46)10-18(22)14-28(32(30)40)56(50,51)52;;;;;;/h1-14,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;;;/q;2*+2;4*+1/p-8/b35-33+,36-34+;;;;;;

HIDE SMILES / InChI

Molecular Formula	Cu
Molecular Weight	63.546
Charge	2
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	C32H14N4O16S4
Molecular Weight	838.731
Charge	-8
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:39:19 GMT 2023` Edited by `admin` on `Sat Dec 16 08:39:19 GMT 2023`
Record UNII	2UCJ11P9F6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BLUE 80

Common Name

English

C.I. DIRECT BLUE 80

Common Name

English

CUPRATE(4-), (.MU.-((4,4'-((3,3'-DIHYDROXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO))BIS(3-HYDROXY-2,7-NAPHTHALENEDISULFONATO))(8-)))DI-, TETRASODIUM

Systematic Name

English

CUPRATE(4-), (.MU.-((4,4'-((3,3'-DI(HYDROXY-.KAPPA.O)(1,1'-BIPHENYL)-4,4'-DIYL)BIS(2,1-DIAZENEDIYL-.KAPPA.N1))BIS(3-(HYDROXY-.KAPPA.O)-2,7-NAPHTHALENEDISULFONATO))(8-)))DI-, SODIUM (1:4)

Systematic Name

English

TETRASODIUM (.MU.-((4,4'-((3,3'-DIHYDROXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO))BIS(3-HYDROXYNAPHTHALENE-2,7-DISULPHONATO))(8-)))DICUPRATE(4-)

Systematic Name

English

CUPRATE(4-), (.MU.-((4,4'-((3,3'-DI(HYDROXY-.KAPPA.O)(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO-.KAPPA.N1))BIS(3-(HYDROXY-.KAPPA.O)-2,7-NAPHTHALENEDISULFONATO))(8-)))DI-, TETRASODIUM

Systematic Name

English

2,7-NAPHTHALENEDISULFONIC ACID, 4,4'-((3,3'-DIHYDROXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO))BIS(3-HYDROXY-, COPPER COMPLEX

Systematic Name

English

CI DIRECT BLUE 80

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

235-414-2

Created by admin on Sat Dec 16 08:39:19 GMT 2023 , Edited by admin on Sat Dec 16 08:39:19 GMT 2023

PRIMARY

CAS

12222-00-3

Created by admin on Sat Dec 16 08:39:19 GMT 2023 , Edited by admin on Sat Dec 16 08:39:19 GMT 2023

PRIMARY

PUBCHEM

25533

Created by admin on Sat Dec 16 08:39:19 GMT 2023 , Edited by admin on Sat Dec 16 08:39:19 GMT 2023

PRIMARY

FDA UNII

2UCJ11P9F6

Created by admin on Sat Dec 16 08:39:19 GMT 2023 , Edited by admin on Sat Dec 16 08:39:19 GMT 2023

PRIMARY