DIRECT BLUE 3

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H25N5O8S2.2Na
Molecular Weight	741.701
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].CC1=C(C=CC(=C1)C2=CC(C)=C(C=C2)\N=N\C3=C(O)C4=CC=C(N)C=C4C=C3S([O-])(=O)=O)\N=N\C5=C(O)C6=C(C=CC=C6)C(=C5)S([O-])(=O)=O

InChI

InChIKey=CWVISFDXEWCPPS-PYIFGEPISA-L

InChI=1S/C34H27N5O8S2.2Na/c1-18-13-20(7-11-27(18)36-38-29-17-30(48(42,43)44)25-5-3-4-6-26(25)33(29)40)21-8-12-28(19(2)14-21)37-39-32-31(49(45,46)47)16-22-15-23(35)9-10-24(22)34(32)41;;/h3-17,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2/b38-36+,39-37+;;

HIDE SMILES / InChI

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	C34H25N5O8S2
Molecular Weight	695.721
Charge	-2
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 12:39:55 GMT 2023` Edited by `admin` on `Sat Dec 16 12:39:55 GMT 2023`
Record UNII	DI7XX23078
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BLUE 3

Common Name

English

1-NAPHTHALENESULFONIC ACID, 3-(2-(4'-(2-(6-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHALENYL)DIAZENYL)-3,3'-DIMETHYL(1,1'-BIPHENYL)-4-YL)DIAZENYL)-4-HYDROXY-, SODIUM SALT (1:2)

Systematic Name

English

1-NAPHTHALENESULFONIC ACID, 3-((4'-((6-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHALENYL)AZO)-3,3'-DIMETHYL(1,1'-BIPHENYL)-4-YL)AZO)-4-HYDROXY-, DISODIUM SALT

Systematic Name

English

C.I. DIRECT BLUE 3

Common Name

English

CI 23705

Code

English

C.I. DIRECT BLUE 3, DISODIUM SALT

Common Name

English

CI DIRECT BLUE 3

Common Name

English

CI DIRECT BLUE 3, DISODIUM SALT

Common Name

English

C.I. 23705

Code

English

Code System Code Type Description

EPA CompTox

DTXSID201023728

Created by admin on Sat Dec 16 12:39:55 GMT 2023 , Edited by admin on Sat Dec 16 12:39:55 GMT 2023

PRIMARY

FDA UNII

DI7XX23078

Created by admin on Sat Dec 16 12:39:55 GMT 2023 , Edited by admin on Sat Dec 16 12:39:55 GMT 2023

PRIMARY

ECHA (EC/EINECS)

219-383-2

Created by admin on Sat Dec 16 12:39:55 GMT 2023 , Edited by admin on Sat Dec 16 12:39:55 GMT 2023

PRIMARY

CAS

2429-72-3

Created by admin on Sat Dec 16 12:39:55 GMT 2023 , Edited by admin on Sat Dec 16 12:39:55 GMT 2023

PRIMARY

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