FD&C BLUE NO. 1 ALUMINUM LAKE

Details

Stereochemistry	ACHIRAL
Molecular Formula	3C37H34N2O9S3.2Al
Molecular Weight	2294.57
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of FD&C BLUE NO. 1 ALUMINUM LAKE

Structure Search

SMILES

[Al+3].[Al+3].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+](CC)CC4=CC(=CC=C4)S([O-])(=O)=O)C5=CC=CC=C5S([O-])(=O)=O.CCN(CC6=CC(=CC=C6)S([O-])(=O)=O)C7=CC=C(C=C7)C(=C8C=CC(C=C8)=[N+](CC)CC9=CC(=CC=C9)S([O-])(=O)=O)C%10=CC=CC=C%10S([O-])(=O)=O.CCN(CC%11=CC(=CC=C%11)S([O-])(=O)=O)C%12=CC=C(C=C%12)C(=C%13C=CC(C=C%13)=[N+](CC)CC%14=CC(=CC=C%14)S([O-])(=O)=O)C%15=CC=CC=C%15S([O-])(=O)=O

InChI

InChIKey=KQVJZDZLEDQCSD-UHFFFAOYSA-H

InChI=1S/3C37H36N2O9S3.2Al/c3*1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h3*5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;;;2*+3/p-6

HIDE SMILES / InChI

Molecular Formula	C37H34N2O9S3
Molecular Weight	746.869
Charge	-2
Count

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

Molecular Formula	Al
Molecular Weight	26.9815
Charge	3
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 11:29:04 UTC 2023` Edited by `admin` on `Sat Dec 16 11:29:04 UTC 2023`
Record UNII	J9EQA3S2JM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FD&C BLUE NO. 1 ALUMINUM LAKE

Common Name

English

FD&C BLUE NO. 1-ALUMINUM LAKE

Common Name

English

BENZENEMETHANAMINIUM, N-ETHYL-N-(4-((4-(ETHYL((3-SULPHOPHENYL)METHYL)AMINO)PHENYL)(2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-3-SULFO-, HYDROXIDE, INNER SALT, ALUMINUM SALT

Common Name

English

DYE FDC BLUE NO. 1 H.T. ALUMINIUM LAKE

Common Name

English

DYE FDC BLUE NO. 1 ALUMINIUM LAKE

Common Name

English

ACID BLUE 9 ALUMINUM LAKE [INCI]

Common Name

English

C.I. FOOD BLUE 2 ALUMINUM LAKE

Common Name

English

UNIPURE BLUE LC 621

Brand Name

English

CI 42090:2

Code

English

C.I. PIGMENT BLUE 78

Common Name

English

A512 TUDOR BLUEBELL

Brand Name

English

FD&C BLUE NO. 1--ALUMINIUM LAKE

Common Name

English

CALISHA ART DEC BLUE 1 LAKE

Brand Name

English

FDC BLUE NO. 1-ALUMINUM LAKE

Common Name

English

FD&C BLUE LAKE NO 1

Brand Name

English

FD&C BLUE NO. 1--ALUMINUM LAKE

Common Name

English

PIGMENT BLUE 78

Common Name

English

FD AND C BLUE NO. 1 LAKE

Common Name

English

JAPAN BLUE 1 ALUMINUM LAKE

Common Name

English

C39-4433 BLUE LAKE

Brand Name

English

BENZENEMETHANAMINIUM, N-ETHYL-N-(4-((4-(ETHYL((3-SULFOPHENYL)METHYL)AMINO)PHENYL)(2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-3-SULFO-, INNER SALT, ALUMINUM SALT

Common Name

English

BLUE 1 LAKE [INCI]

Common Name

English

BLUE 1 LAKE

Official Name

English

N-ETHYL-N-(4-((4-(ETHYL((3-SULFOPHENYL)METHYL)AMINO)PHENYL)(2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-3-SULFOBENZENEMETHANAMINIUM, HYDROXIDE, INNER SALT, ALUMINUM SALT

Common Name

English

Code System Code Type Description

CAS

15792-67-3