Xylene cyanol

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H27N2O7S2.Na
Molecular Weight	554.611
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCNC1=CC=C(C=C1C)C(=C2C=CC(=NCC)C(C)=C2)C3=CC(O)=C(C=C3S(O)(=O)=O)S([O-])(=O)=O

InChI

InChIKey=ACZRDWVARWLTRG-MUKHSKDQSA-M

InChI=1S/C25H28N2O7S2.Na/c1-5-26-20-9-7-17(11-15(20)3)25(18-8-10-21(27-6-2)16(4)12-18)19-13-22(28)24(36(32,33)34)14-23(19)35(29,30)31;/h7-14,26,28H,5-6H2,1-4H3,(H,29,30,31)(H,32,33,34);/q;+1/p-1/b25-18+,27-21+;

HIDE SMILES / InChI

Molecular Formula	C25H27N2O7S2
Molecular Weight	531.621
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
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 `Wed Apr 02 19:35:25 GMT 2025` Edited by `admin` on `Wed Apr 02 19:35:25 GMT 2025`
Record UNII	J46U694JYN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Xylene cyanol

Common Name

English

C.I. 43535

Preferred Name

English

1,3-Benzenedisulfonic acid, 4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-6-hydroxy-, sodium salt (1:1)

Systematic Name

English

CI 43535

Common Name

English

Sodium;4-[(Z)-[4-(ethylamino)-3-methylphenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-5-sulfobenzenesulfonate

Systematic Name

English

Code System Code Type Description

CAS

4463-44-9

Created by admin on Wed Apr 02 19:35:25 GMT 2025 , Edited by admin on Wed Apr 02 19:35:25 GMT 2025

PRIMARY

PUBCHEM

74083182

Created by admin on Wed Apr 02 19:35:25 GMT 2025 , Edited by admin on Wed Apr 02 19:35:25 GMT 2025

PRIMARY

CAS

2983339-57-5

Created by admin on Wed Apr 02 19:35:25 GMT 2025 , Edited by admin on Wed Apr 02 19:35:25 GMT 2025

ALTERNATIVE

FDA UNII

J46U694JYN

Created by admin on Wed Apr 02 19:35:25 GMT 2025 , Edited by admin on Wed Apr 02 19:35:25 GMT 2025

PRIMARY

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Xylene cyanol free acid

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Amount: