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Details

Stereochemistry	ACHIRAL
Molecular Formula	C42H24N6O6S6.2Na
Molecular Weight	947.046
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].CC1=CC=C2N=C(SC2=C1S([O-])(=O)=O)C3=CC4=C(C=C3)N=C(S4)C5=CC=C(C=C5)\N=N\C6=CC=C(C=C6)C7=NC8=C(S7)C=C(C=C8)C9=NC%10=C(S9)C(=C(C)C=C%10)S([O-])(=O)=O

InChI

InChIKey=ZZMVQXGPIIXLMO-NOHQDRAESA-L

InChI=1S/C42H26N6O6S6.2Na/c1-21-3-15-31-35(37(21)59(49,50)51)57-41(45-31)25-9-17-29-33(19-25)55-39(43-29)23-5-11-27(12-6-23)47-48-28-13-7-24(8-14-28)40-44-30-18-10-26(20-34(30)56-40)42-46-32-16-4-22(2)38(36(32)58-42)60(52,53)54;;/h3-20H,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2/b48-47+;;

HIDE SMILES / InChI

Molecular Formula	C42H24N6O6S6
Molecular Weight	901.067
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
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 22:03:40 GMT 2025` Edited by `admin` on `Mon Mar 31 22:03:40 GMT 2025`
Record UNII	S240D948B7
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

C.I. 19556

Preferred Name

English

DIRECT YELLOW 29

Common Name

English

(2,6'-BIBENZOTHIAZOLE)-7-SULFONIC ACID, 2',2'''-(AZODI-4,1-PHENYLENE)BIS(6-METHYL-, DISODIUM SALT

Systematic Name

English

CI 19556

Code

English

(2,6'-BIBENZOTHIAZOLE)-7-SULFONIC ACID, 2',2'''-(1,2-DIAZENEDIYLDI-4,1-PHENYLENE)BIS(6-METHYL-, SODIUM SALT (1:2)

Systematic Name

English

NSC-326208

Code

English

C.I. DIRECT YELLOW 29

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID6064406