FD&C BLUE NO. 2 ALUMINUM LAKE

Details

Stereochemistry	ACHIRAL
Molecular Formula	3C16H8N2O8S2.2Al
Molecular Weight	1315.083
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of FD&C BLUE NO. 2 ALUMINUM LAKE

Structure Search

SMILES

[Al+3].[Al+3].[O-]S(=O)(=O)C1=CC=C2N\C(C(=O)C2=C1)=C3\NC4=CC=C(C=C4C3=O)S([O-])(=O)=O.[O-]S(=O)(=O)C5=CC=C6N\C(C(=O)C6=C5)=C7\NC8=CC=C(C=C8C7=O)S([O-])(=O)=O.[O-]S(=O)(=O)C9=CC=C%10N\C(C(=O)C%10=C9)=C%11\NC%12=CC=C(C=C%12C%11=O)S([O-])(=O)=O

InChI

InChIKey=LUMBYZCQSBZRHR-ZZAMBAHZSA-H

InChI=1S/3C16H10N2O8S2.2Al/c3*19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h3*1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;;;2*+3/p-6/b3*14-13+;;

HIDE SMILES / InChI

Molecular Formula	C16H8N2O8S2
Molecular Weight	420.373
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 14:40:53 UTC 2023` Edited by `admin` on `Sat Dec 16 14:40:53 UTC 2023`
Record UNII	4AQJ3LG584
Record Status	`Validated (UNII)`
Record Version

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Related Record	Type

Name

Type

Language

FD&C BLUE NO. 2 ALUMINUM LAKE

Common Name

English

FD&C BLUE NO. 2--ALUMINUM LAKE

Preferred Name

English

FD&C BLUE NO. 2--ALUMINIUM LAKE

Common Name

English

DYE FDC BLUE NO. 2 ALUMINIUM LAKE

Common Name

English

Code System Code Type Description

SMS_ID

100000079932