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=C(C=C(N)C=C4)C=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	C34H25N5O8S2
Molecular Weight	695.721
Charge	-2
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
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 `Tue Apr 01 19:35:21 GMT 2025` Edited by `admin` on `Tue Apr 01 19:35:21 GMT 2025`
Record UNII	DI7XX23078
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BLUE 3

Common Name

English

C.I. 23705

Preferred 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

Code System Code Type Description

EPA CompTox

DTXSID201023728

Created by admin on Tue Apr 01 19:35:21 GMT 2025 , Edited by admin on Tue Apr 01 19:35:21 GMT 2025

PRIMARY

FDA UNII

DI7XX23078

Created by admin on Tue Apr 01 19:35:21 GMT 2025 , Edited by admin on Tue Apr 01 19:35:21 GMT 2025

PRIMARY

ECHA (EC/EINECS)

219-383-2

Created by admin on Tue Apr 01 19:35:21 GMT 2025 , Edited by admin on Tue Apr 01 19:35:21 GMT 2025

PRIMARY

CAS

2429-72-3

Created by admin on Tue Apr 01 19:35:21 GMT 2025 , Edited by admin on Tue Apr 01 19:35:21 GMT 2025

PRIMARY

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DIRECT BLUE 3 FREE ACID

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