DIRECT BROWN 6

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H20N6O8S.2Na
Molecular Weight	682.57
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].OC1=CC=C(C=C1C([O-])=O)\N=N\C2=CC=C(C=C2)C3=CC=C(C=C3)\N=N\C4=CC=C(O)C(\N=N\C5=CC=C(C=C5)S([O-])(=O)=O)=C4O

InChI

InChIKey=BNANBFLJWROFPW-ITNIHSDHSA-L

InChI=1S/C31H22N6O8S.2Na/c38-27-15-11-23(17-25(27)31(41)42)35-32-20-5-1-18(2-6-20)19-3-7-21(8-4-19)33-36-26-14-16-28(39)29(30(26)40)37-34-22-9-12-24(13-10-22)46(43,44)45;;/h1-17,38-40H,(H,41,42)(H,43,44,45);;/q;2*+1/p-2/b35-32+,36-33+,37-34+;;

HIDE SMILES / InChI

Molecular Formula	C31H20N6O8S
Molecular Weight	636.591
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	3
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 `Mon Mar 31 22:01:42 GMT 2025` Edited by `admin` on `Mon Mar 31 22:01:42 GMT 2025`
Record UNII	0DHB3S5F8S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BROWN 6

Common Name

English

NSC-75777

Preferred Name

English

C.I. DIRECT BROWN 6

Common Name

English

BENZOIC ACID, 5-(2-(4'-(2-(2,4-DIHYDROXY-3-(2-(4-SULFOPHENYL)DIAZENYL)PHENYL)DIAZENYL)(1,1'-BIPHENYL)-4-YL)DIAZENYL)-2-HYDROXY-, SODIUM SALT (1:2)

Systematic Name

English

C.I. 30140

Common Name

English

CI 30140

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID0062688