DIRECT BLUE 98

Details

Stereochemistry	ACHIRAL
Molecular Formula	C38H20N5O13S3.2Cu.3Na
Molecular Weight	1046.847
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].[Cu++].[Cu++].[O-]C1=CC(=CC=C1\N=N\C2=C(C=C3C=CC=C(C3=C2[O-])S([O-])(=O)=O)S([O-])(=O)=O)C4=CC([O-])=C(C=C4)\N=N\C5=C(C=C6C=C(NC7=CC=CC=C7)C=CC6=C5[O-])S([O-])(=O)=O

InChI

InChIKey=JWTNYFWHDZSFKD-GZEJJAMTSA-G

InChI=1S/C38H27N5O13S3.2Cu.3Na/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);;;;;/q;2*+2;3*+1/p-7/b42-40+,43-41+;;;;;

HIDE SMILES / InChI

Molecular Formula	Cu
Molecular Weight	63.546
Charge	2
Count

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

Molecular Formula	C38H20N5O13S3
Molecular Weight	850.786
Charge	-7
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:01:01 GMT 2023` Edited by `admin` on `Sat Dec 16 08:01:01 GMT 2023`
Record UNII	R1RVY098D6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BLUE 98

Common Name

English

TRIANTINE LIGHT YELLOW RR

Brand Name

English

CHLORANTINE FAST BLUE BLL

Brand Name

English

COPPER, (TRIHYDROGEN 7-((4'-((6-ANILINO-1-HYDROXY-3-SULFO-2-NAPHTHYL)AZO)-3,3'-DIHYDROXY-4-BIPHENYLYL)AZO)-8-HYDROXY-1,6-NAPHTHALENEDISULFONATO(4-))DI-, TRISODIUM SALT

Systematic Name

English

AZOANTHRENE ROYAL BLUE L

Brand Name

English

CUPRATE(3-), (.MU.-(7-((3,3'-DI(HYDROXY-.KAPPA.O)-4'-((1-(HYDROXY-.KAPPA.O)-6-(PHENYLAMINO)-3-SULFO-2-NAPHTHALENYL)AZO-.KAPPA.N1)(1,1'-BIPHENYL)-4-YL)AZO-.KAPPA.N1)-8-(HYDROXY-.KAPPA.O)-1,6-NAPHTHALENEDISULFONATO(7-)))DI-, TRISODIUM

Common Name

English

C.I. DIRECT BLUE 98

Common Name

English

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

Common Name

English

CI DIRECT BLUE 98

Common Name

English

CUPRATE(3-), (.MU.-(7-(2-(3,3'-DI(HYDROXY-.KAPPA.O)-4'-(2-(1-(HYDROXY-.KAPPA.O)-6-(PHENYLAMINO)-3-SULFO-2-NAPHTHALENYL)DIAZENYL-.KAPPA.N1)(1,1'-BIPHENYL)-4-YL)DIAZENYL-.KAPPA.N1)-8-(HYDROXY-.KAPPA.O)-1,6-NAPHTHALENEDISULFONATO(7-)))DI-, SODIUM (1:3)

Systematic Name

English

CI 23155

Common Name

English

CUPRATE(3-), (.MU.-(7-((3,3'-DIHYDROXY-4'-((1-HYDROXY-6-(PHENYLAMINO)-3-SULFO-2-NAPHTHALENYL)AZO)(1,1'-BIPHENYL)-4-YL)AZO)-8-HYDROXY-1,6-NAPHTHALENEDISULFONATO(7-)))DI-, TRISODIUM

Common Name

English

TRISODIUM (MU-(7-((4'-((6-ANILINO-1-HYDROXY-3-SULPHO-2- NAPHTHYL)AZO)-3,3'-DIHYDROXY(1,1'-BIPHENYL)-4-YL)AZO)-8- HYDROXYNAPHTHALENE-1,6-DISULPHONATO(7-)))DICUPRATE(3-)

Common Name

English

Code System Code Type Description

FDA UNII

R1RVY098D6

Created by admin on Sat Dec 16 08:01:01 GMT 2023 , Edited by admin on Sat Dec 16 08:01:01 GMT 2023

PRIMARY

CAS

6656-03-7

Created by admin on Sat Dec 16 08:01:01 GMT 2023 , Edited by admin on Sat Dec 16 08:01:01 GMT 2023

PRIMARY

ECHA (EC/EINECS)

229-687-7

Created by admin on Sat Dec 16 08:01:01 GMT 2023 , Edited by admin on Sat Dec 16 08:01:01 GMT 2023

PRIMARY

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DIRECT BLUE 98 FREE ACID

PARENT -> SALT/SOLVATE