METHYL BLUE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C37H28N3O9S3.2Na
Molecular Weight	800.807
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].OS(=O)(=O)C1=CC=C(NC2=CC=C(C=C2)C(C3=CC=C(NC4=CC=C(C=C4)S([O-])(=O)=O)C=C3)=C5C=CC(C=C5)=[NH+]C6=CC=C(C=C6)S([O-])(=O)=O)C=C1

InChI

InChIKey=MCPLVIGCWWTHFH-UHFFFAOYSA-M

InChI=1S/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-1

HIDE SMILES / InChI

Molecular Formula	C37H27N3O9S3
Molecular Weight	753.82
Charge	-2
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
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 `Mon Mar 31 19:01:15 GMT 2025` Edited by `admin` on `Mon Mar 31 19:01:15 GMT 2025`
Record UNII	9ZI2A1BMBB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL BLUE

Common Name

English

((4-(BIS(4-((SULFOPHENYL)AMINO)PHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)AMINO)BENZENESULFONIC ACID SODIUM SALT (1:2)

Preferred Name

English

BENZENESULFONIC ACID, ((4-(BIS(4-((SULFOPHENYL)AMINO)PHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)AMINO)-, SODIUM SALT (1:2)

Common Name

English

BRILLIANT COTTON BLUE

Common Name

English

C.I. 42780

Common Name

English

C.I. ACID BLUE 93

Common Name

English

CI 42780

Common Name

English

SODIUM TRIPHENYL-P-ROSANILINETRISULFATE

Common Name

English

HELVETIA BLUE

Common Name

English

METHYL BLUE [MI]

Common Name

English

Code System Code Type Description

RXCUI

2176448