Bromochlorophenol blue sodium

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H9Br2Cl2O5S.Na
Molecular Weight	603.041
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Bromochlorophenol blue sodium

Structure Search

SMILES

[Na+].OC1=C(Br)C=C(C=C1Cl)C(=C2C=C(Cl)C(=O)C(Br)=C2)C3=CC=CC=C3S([O-])(=O)=O

InChI

InChIKey=BWDKAKIITIACLI-LZMXEPDESA-M

InChI=1S/C19H10Br2Cl2O5S.Na/c20-12-5-9(7-14(22)18(12)24)17(10-6-13(21)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28;/h1-8,24H,(H,26,27,28);/q;+1/p-1/b17-10+;

HIDE SMILES / InChI

Molecular Formula	C19H9Br2Cl2O5S
Molecular Weight	580.051
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 `Sat Dec 16 10:38:14 GMT 2023` Edited by `admin` on `Sat Dec 16 10:38:14 GMT 2023`
Record UNII	84H33NMG3R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Bromochlorophenol blue sodium

Common Name

English

Bromochlorophenol Blue, water soluble

Common Name

English

Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-chloro-, monosodium salt

Systematic Name

English

Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-chloro-, sodium salt (1:1)

Systematic Name

English

Benzenesulfonic acid, 2-[(3-bromo-5-chloro-4-hydroxyphenyl)(3-bromo-5-chloro-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-, sodium salt (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

3260155