BRILLIANT BLUE R

Details

Stereochemistry	ACHIRAL
Molecular Formula	C45H44N3O7S2.Na
Molecular Weight	825.967
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCOC1=CC=C(NC2=CC=C(C=C2)C(C3=CC=C(C=C3)N(CC)CC4=CC(=CC=C4)S([O-])(=O)=O)=C5C=CC(C=C5)=[N+](CC)CC6=CC(=CC=C6)S([O-])(=O)=O)C=C1

InChI

InChIKey=NKLPQNGYXWVELD-UHFFFAOYSA-M

InChI=1S/C45H45N3O7S2.Na/c1-4-47(31-33-9-7-11-43(29-33)56(49,50)51)40-23-15-36(16-24-40)45(35-13-19-38(20-14-35)46-39-21-27-42(28-22-39)55-6-3)37-17-25-41(26-18-37)48(5-2)32-34-10-8-12-44(30-34)57(52,53)54;/h7-30H,4-6,31-32H2,1-3H3,(H2,49,50,51,52,53,54);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C45H45N3O7S2
Molecular Weight	803.985
Charge	0
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 16:34:43 GMT 2023` Edited by `admin` on `Sat Dec 16 16:34:43 GMT 2023`
Record UNII	TKL1K0PT9A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BRILLIANT BLUE R

Common Name

English

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

Systematic Name

English

COOMASSIE BRILLIANT BLUE R [MI]

Common Name

English

Code System Code Type Description

CAS

6104-59-2