DIRECT BROWN 31

Details

Stereochemistry	ACHIRAL
Molecular Formula	C46H30N10O13S3.4Na
Molecular Weight	1118.944
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].CC1=C(N)C(\N=N\C2=CC=C(C=C2)C3=CC=C(C=C3)\N=N\C4=CC(C([O-])=O)=C(O)C=C4)=C(N)C(=C1)\N=N\C5=CC6=C(C=C5S([O-])(=O)=O)C=C(C(\N=N\C7=CC=C(C8=C7C=CC=C8)S([O-])(=O)=O)=C6O)S([O-])(=O)=O

InChI

InChIKey=DWAUTGHCJRNULO-LDHHNXPKSA-J

InChI=1S/C46H34N10O13S3.4Na/c1-23-18-36(42(48)44(41(23)47)56-50-28-12-8-25(9-13-28)24-6-10-27(11-7-24)49-51-29-14-16-37(57)33(21-29)46(59)60)54-53-35-22-32-26(19-39(35)71(64,65)66)20-40(72(67,68)69)43(45(32)58)55-52-34-15-17-38(70(61,62)63)31-5-3-2-4-30(31)34;;;;/h2-22,57-58H,47-48H2,1H3,(H,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;/q;4*+1/p-4/b51-49+,54-53+,55-52+,56-50+;;;;

HIDE SMILES / InChI

Molecular Formula	C46H30N10O13S3
Molecular Weight	1026.985
Charge	-4
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	4
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 09:02:53 GMT 2023` Edited by `admin` on `Sat Dec 16 09:02:53 GMT 2023`
Record UNII	H1UGX66R5X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BROWN 31

Common Name

English

CI 35660

Code

English

BENZOIC ACID, 5-((4'-((2,6-DIAMINO-3-((8-HYDROXY-3,6-DISULFO-7-((4-SULFO-1-NAPHTHALENYL)AZO)-2-NAPHTHALENYL)AZO)-5-METHYLPHENYL)AZO)(1,1'-BIPHENYL)-4-YL)AZO)-2-HYDROXY-, TETRASODIUM SALT

Systematic Name

English

C.I. DIRECT BROWN 31, TETRASODIUM SALT

Common Name

English

C.I. DIRECT BROWN 31

Common Name

English

C.I. 35660

Code

English

CI DIRECT BROWN 31

Common Name

English

CI DIRECT BROWN 31, TETRASODIUM SALT

Common Name

English

BENZOIC ACID, 5-(2-(4'-(2-(2,6-DIAMINO-3-(2-(8-HYDROXY-3,6-DISULFO-7-(2-(4-SULFO-1-NAPHTHALENYL)DIAZENYL)-2-NAPHTHALENYL)DIAZENYL)-5-METHYLPHENYL)DIAZENYL)(1,1'-BIPHENYL)-4-YL)DIAZENYL)-2-HYDROXY-, SODIUM SALT (1:4)

Systematic Name

English

Code System Code Type Description

FDA UNII

H1UGX66R5X

Created by admin on Sat Dec 16 09:02:53 GMT 2023 , Edited by admin on Sat Dec 16 09:02:53 GMT 2023

PRIMARY

ECHA (EC/EINECS)

219-390-0

Created by admin on Sat Dec 16 09:02:53 GMT 2023 , Edited by admin on Sat Dec 16 09:02:53 GMT 2023

PRIMARY

EPA CompTox

DTXSID2036823

Created by admin on Sat Dec 16 09:02:53 GMT 2023 , Edited by admin on Sat Dec 16 09:02:53 GMT 2023

PRIMARY

CAS

2429-81-4

Created by admin on Sat Dec 16 09:02:53 GMT 2023 , Edited by admin on Sat Dec 16 09:02:53 GMT 2023

PRIMARY