Tertrodiazo Indigo Blue BR

Details

Stereochemistry	ACHIRAL
Molecular Formula	C36H22N7O10S3.3Na
Molecular Weight	877.765
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].NC1=CC=C(C=C1)\N=N\C2=C3C=C(C=CC3=C(C=C2)\N=N\C4=C5C=C(C=CC5=C(C=C4)\N=N\C6=C(O)C7=C(C=CC=C7)C(=C6)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=NBAONFGKBCDXQW-BEBQPDMKSA-K

InChI=1S/C36H25N7O10S3.3Na/c37-20-5-7-21(8-6-20)38-39-32-15-13-30(24-11-9-22(17-28(24)32)54(45,46)47)40-42-33-16-14-31(25-12-10-23(18-29(25)33)55(48,49)50)41-43-34-19-35(56(51,52)53)26-3-1-2-4-27(26)36(34)44;;;/h1-19,44H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b39-38+,42-40+,43-41+;;;

HIDE SMILES / InChI

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

Molecular Formula	C36H22N7O10S3
Molecular Weight	808.796
Charge	-3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	3
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:55:41 GMT 2025` Edited by `admin` on `Tue Apr 01 19:55:41 GMT 2025`
Record UNII	X3LAD6D9TT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-47766

Preferred Name

English

Tertrodiazo Indigo Blue BR

Common Name

English

1-Naphthalenesulfonic acid, 3-[2-[4-[2-[4-[2-(4-aminophenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-4-hydroxy-, trisodium salt

Systematic Name

English

1-Naphthalenesulfonic acid, 3-[2-[4-[2-[4-[2-(4-aminophenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-4-hydroxy-, sodium salt (1:3)

Systematic Name

English

C.I. 34085

Common Name

English

Code System Code Type Description

CAS

3626-40-2