CRESOL PURPLE SODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H17O5S.Na
Molecular Weight	404.411
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CC1=CC(O)=CC=C1C(=C2C=CC(=O)C=C2C)C3=C(C=CC=C3)S([O-])(=O)=O

InChI

InChIKey=BYQJYOOKENJSNK-GOSREXKOSA-M

InChI=1S/C21H18O5S.Na/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26;/h3-12,22H,1-2H3,(H,24,25,26);/q;+1/p-1/b21-18+;

HIDE SMILES / InChI

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

Molecular Formula	C21H17O5S
Molecular Weight	381.422
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:13:24 GMT 2023` Edited by `admin` on `Sat Dec 16 08:13:24 GMT 2023`
Record UNII	549ZAT56PK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CRESOL PURPLE SODIUM

Common Name

English

PHENOL, 4,4'-(3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(3-METHYL-, S,S-DIOXIDE, MONOSODIUM SALT

Systematic Name

English

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

Systematic Name

English

PHENOL, 4,4'-(1,1-DIOXIDO-3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(3-METHYL-, MONOSODIUM SALT

Systematic Name

English

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

Systematic Name

English

M-CRESOL PURPLE SODIUM SALT

Common Name

English

Code System Code Type Description

CAS

86271-80-9