Reactive Orange 13

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H15ClN7O10S3.3Na
Molecular Weight	762.034
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].CN(C1=CC2=C(C=C1)C(O)=C(\N=N\C3=CC=C4C(=CC=CC4=C3S([O-])(=O)=O)S([O-])(=O)=O)C(=C2)S([O-])(=O)=O)C5=NC(Cl)=NC(N)=N5

InChI

InChIKey=IHVXOVVDYSKGMH-HUVHLSCJSA-K

InChI=1S/C24H18ClN7O10S3.3Na/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36;;;/h2-10,33H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H2,26,27,28,29);;;/q;3*+1/p-3/b31-30+;;;

HIDE SMILES / InChI

Molecular Formula	C24H15ClN7O10S3
Molecular Weight	693.065
Charge	-3
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 `Tue Apr 01 19:53:22 GMT 2025` Edited by `admin` on `Tue Apr 01 19:53:22 GMT 2025`
Record UNII	MHZ75KW3A7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Reactive Orange 13

Common Name

English

1,5-Naphthalenedisulfonic acid, 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, trisodium salt

Preferred Name

English

1,5-Naphthalenedisulfonic acid, 2-[2-[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, trisodium salt

Systematic Name

English

Trisodium 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfonato-2-naphthyl]azo]naphthalene-1,5-disulfonate

Systematic Name

English

1,5-Naphthalenedisulfonic acid, 2-[2-[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3)

Systematic Name

English

Trisodium 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate

Systematic Name

English

Code System Code Type Description

FDA UNII

MHZ75KW3A7