DIRECT BROWN 95

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H16N6O9S.Cu.2Na.2H
Molecular Weight	760.1
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H+].[H+].[Na+].[Na+].[Cu++].[O-]C(=O)C1=CC(=CC=C1[O-])\N=N\C2=CC=C(C=C2)C3=CC=C(C=C3)\N=N\C4=C([O-])C=CC(\N=N\C5=C([O-])C=CC(=C5)S([O-])(=O)=O)=C4[O-]

InChI

InChIKey=HZBTZQVWJPRVDN-LBTRXZFVSA-J

InChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,38-41H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4/b34-32+,36-35+,37-33+;;;

HIDE SMILES / InChI

Molecular Formula	C31H16N6O9S
Molecular Weight	648.559
Charge	-6
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	3
Optical Activity	NONE

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
Count

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

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	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 08:01:39 GMT 2023` Edited by `admin` on `Sat Dec 16 08:01:39 GMT 2023`
Record UNII	47250W6X0H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BROWN 95

Common Name

English

AIZEN PRIMULA BROWN BRLH

Brand Name

English

CUPRATE(2-), (5-((4'-((2-(HYDROXY-.KAPPA.O)-6-HYDROXY-3-((2-(HYDROXY-.KAPPA.O)-5-SULFOPHENYL)AZO-.KAPPA.N1)PHENYL)AZO)(1,1'-BIPHENYL)-4-YL)AZO)-2-HYDROXYBENZOATO(4-))-, DISODIUM

Systematic Name

English

COPPER, (DIHYDROGEN 5-((4'-((2,6-DIHYDROXY-3-((2-HYDROXY-5-SULFOPHENYL)AZO)PHENYL)AZO)-4-BIPHENYLYL)AZO)SALICYLATO(2-))-, DISODIUM SALT

Systematic Name

English

CUPRATE(2-), (5-((4'-((2,6-DIHYDROXY-3-((2-HYDROXY-5-SULFOPHENYL)AZO)PHENYL)AZO)(1,1'-BIPHENYL)-4-YL)AZO)-2-HYDROXYBENZOATO(4-))-, DISODIUM

Systematic Name

English

CI 30145

Common Name

English

DISODIUM (5-((4'-((2,6-DIHYDROXY-3-((2-HYDROXY-5- SULPHOPHENYL)AZO)PHENYL)AZO)(1,1'-BIPHENYL)-4- YL)AZO)SALICYLATO(4-))CUPRATE(2-)

Common Name

English

CI DIRECT BROWN 95 [HSDB]

Common Name

English

CUPRATE(2-), (2-HYDROXY-5-(2-(4'-(2-(2-(HYDROXY-.KAPPA.O)-6-HYDROXY-3-(2-(2-(HYDROXY-.KAPPA.O)-5-SULFOPHENYL)DIAZENYL-.KAPPA.N1)PHENYL)DIAZENYL)(1,1'-BIPHENYL)-4-YL)DIAZENYL)BENZOATO(4-))-, SODIUM (1:2)

Systematic Name

English

C.I. DIRECT BROWN 95

Common Name

English

BENZOIC ACID, 5-((4'-((2,6-DIHYDROXY-3-((2-HYDROXY-5-SULFOPHENYL)AZO)PHENYL)AZO)(1,1'-BIPHENYL)-4-YL)AZO)-2-HYDROXY-, COPPER COMPLEX

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C45406