ACID BLUE 113

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H21N5O6S2.2Na
Molecular Weight	681.649
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[O-]S(=O)(=O)C1=CC(=CC=C1)\N=N\C2=CC=C(\N=N\C3=CC=C(NC4=CC=CC=C4)C5=C3C=CC=C5S([O-])(=O)=O)C6=C2C=CC=C6

InChI

InChIKey=XPRMZBUQQMPKCR-XGQONITOSA-L

InChI=1S/C32H23N5O6S2.2Na/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b35-34+,37-36+;;

HIDE SMILES / InChI

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

Molecular Formula	C32H21N5O6S2
Molecular Weight	635.669
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:51:29 UTC 2023` Edited by `admin` on `Sat Dec 16 08:51:29 UTC 2023`
Record UNII	6BJW83X6LV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACID BLUE 113

Common Name

English

CI ACID BLUE 113

Common Name

English

CI 26360

Common Name

English

C.I. ACID BLUE 113, DISODIUM SALT

Common Name

English

1-NAPHTHALENESULFONIC ACID, 8-(PHENYLAMINO)-5-(2-(4-(2-(3-SULFOPHENYL)DIAZENYL)-1-NAPHTHALENYL)DIAZENYL)-, SODIUM SALT (1:2)

Systematic Name

English

NSC-47746

Code

English

C.I. 26360

Common Name

English

CI ACID BLUE 113, DISODIUM SALT

Common Name

English

1-NAPHTHALENESULFONIC ACID, 8-(PHENYLAMINO)-5-((4-((3-SULFOPHENYL)AZO)-1-NAPHTHALENYL)AZO)-, DISODIUM SALT

Systematic Name

English

C.I. ACID BLUE 113

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID7044920