DIRECT BLUE 98 FREE ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C38H27N5O13S3
Molecular Weight	857.842
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=C(C=CC(=C1)C2=CC(O)=C(C=C2)\N=N\C3=C(C=C4C=CC=C(C4=C3O)S(O)(=O)=O)S(O)(=O)=O)\N=N\C5=C(O)C6=C(C=C(NC7=CC=CC=C7)C=C6)C=C5S(O)(=O)=O

InChI

InChIKey=HKRMSBZMWUCAKS-IZRQRQPJSA-N

InChI=1S/C38H27N5O13S3/c44-29-16-20(9-13-27(29)40-42-35-33(59(54,55)56)19-23-15-25(11-12-26(23)37(35)46)39-24-6-2-1-3-7-24)21-10-14-28(30(45)17-21)41-43-36-32(58(51,52)53)18-22-5-4-8-31(57(48,49)50)34(22)38(36)47/h1-19,39,44-47H,(H,48,49,50)(H,51,52,53)(H,54,55,56)/b42-40+,43-41+

HIDE SMILES / InChI

Molecular Formula	C38H27N5O13S3
Molecular Weight	857.842
Charge	0
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 `Tue Apr 01 17:26:45 GMT 2025` Edited by `admin` on `Tue Apr 01 17:26:45 GMT 2025`
Record UNII	48054U4I78
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1,6-NAPHTHALENEDISULFONIC ACID, 7-(2-(3,3'-DIHYDROXY-4'-(2-(1-HYDROXY-6-(PHENYLAMINO)-3-SULFO-2-NAPHTHALENYL)DIAZENYL)(1,1'-BIPHENYL)-4-YL)DIAZENYL)-8-HYDROXY-

Preferred Name

English

DIRECT BLUE 98 FREE ACID

Common Name

English

Code System Code Type Description

CAS

753385-40-9

Created by admin on Tue Apr 01 17:26:45 GMT 2025 , Edited by admin on Tue Apr 01 17:26:45 GMT 2025

PRIMARY

FDA UNII

48054U4I78

Created by admin on Tue Apr 01 17:26:45 GMT 2025 , Edited by admin on Tue Apr 01 17:26:45 GMT 2025

PRIMARY

PUBCHEM

121596599

Created by admin on Tue Apr 01 17:26:45 GMT 2025 , Edited by admin on Tue Apr 01 17:26:45 GMT 2025

PRIMARY

Related Record Type Details


					R1RVY098D6

DIRECT BLUE 98

SALT/SOLVATE -> PARENT