1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]azo]-, tetrasodium salt

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H19N3O17S5.4Na
Molecular Weight	933.755
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]azo]-, tetrasodium salt

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].OC1=C2C(NC(=O)C3=CC=CC=C3)=CC=C(C2=CC(=C1\N=N\C4=C(C5=C(C=C4)C=C(C=C5)S(=O)(=O)CCOS([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=IYSLRGNHTGJLSK-JKDBTGEISA-J

InChI=1S/C29H23N3O17S5.4Na/c33-27-25-20(23(51(37,38)39)11-10-21(25)30-29(34)16-4-2-1-3-5-16)15-24(52(40,41)42)26(27)32-31-22-9-6-17-14-18(7-8-19(17)28(22)53(43,44)45)50(35,36)13-12-49-54(46,47)48;;;;/h1-11,14-15,33H,12-13H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4/b32-31+;;;;

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	C29H19N3O17S5
Molecular Weight	841.796
Charge	-4
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:25:26 GMT 2025` Edited by `admin` on `Tue Apr 01 19:25:26 GMT 2025`
Record UNII	FZ38CHL328
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[2-[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]diazenyl]-, sodium salt (1:4)

Preferred Name

English

1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]azo]-, tetrasodium salt

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

279-915-4