BROMCRESOL PURPLE SODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H15Br2O5S.Na
Molecular Weight	562.2045
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CC1=CC(C=C(Br)C1=O)=C(C2=CC(Br)=C(O)C(C)=C2)C3=CC=CC=C3S([O-])(=O)=O

InChI

InChIKey=KVSJYIXUWNOWBD-YEBWQKSTSA-M

InChI=1S/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)20(11)24)19(14-8-12(2)21(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28;/h3-10,24H,1-2H3,(H,26,27,28);/q;+1/p-1/b19-14-;

HIDE SMILES / InChI

Molecular Formula	C21H15Br2O5S
Molecular Weight	539.2147
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
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 `Mon Mar 31 22:51:21 GMT 2025` Edited by `admin` on `Mon Mar 31 22:51:21 GMT 2025`
Record UNII	F9HZ0OW9HE
Record Status	`FAILED`
Record Version

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Name

Type

Language

BROMCRESOL PURPLE SODIUM

Common Name

English

BROMCRESOL PURPLE SODIUM SALT [MI]

Preferred Name

English

PHENOL, 4,4'-(1,1-DIOXIDO-3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(2-BROMO-6-METHYL-, SODIUM SALT (1:1)

Systematic Name

English

BENZENESULFONIC ACID, 2-((3-BROMO-4-HYDROXY-5-METHYLPHENYL)(3-BROMO-5-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL)-, SODIUM SALT (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

3830446