DIRECT BLACK 9

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H23N9O7S2.2Na
Molecular Weight	755.691
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].NC1=CC=C(\N=N\C2=CC3=C(O)C(\N=N\C4=CC=C(C=C4)\N=N\C5=C6C=CC(=CC6=C(N)C=C5)S([O-])(=O)=O)=C(C=C3C=C2)S([O-])(=O)=O)C(N)=C1

InChI

InChIKey=XBNJTJSNERNEBL-KBZJKTMOSA-L

InChI=1S/C32H25N9O7S2.2Na/c33-18-2-11-29(27(35)14-18)40-38-21-3-1-17-13-30(50(46,47)48)31(32(42)24(17)15-21)41-37-20-6-4-19(5-7-20)36-39-28-12-10-26(34)25-16-22(49(43,44)45)8-9-23(25)28;;/h1-16,42H,33-35H2,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-36+,40-38+,41-37+;;

HIDE SMILES / InChI

Molecular Formula	C32H23N9O7S2
Molecular Weight	709.711
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 `Tue Apr 01 19:35:27 GMT 2025` Edited by `admin` on `Tue Apr 01 19:35:27 GMT 2025`
Record UNII	84JY266T22
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BLACK 9

Common Name

English

NSC-71962

Preferred Name

English

C.I. DIRECT BLACK 9

Common Name

English

2-Naphthalenesulfonic acid, 3-[2-[4-[2-[4-amino-6(or 7)-sulfo-1-naphthalenyl]diazenyl]phenyl]diazenyl]-6-[2-(2,4-diaminophenyl)diazenyl]-4-hydroxy-, sodium salt (1:2)

Systematic Name

English

2-Naphthalenesulfonic acid, 3-[[4-[[4-amino-6(or 7)-sulfo-1-naphthalenyl]azo]phenyl]azo]-6-[(2,4-diaminophenyl)azo]-4-hydroxy-, disodium salt

Systematic Name

English

Code System Code Type Description

PUBCHEM

9577488