Xylene cyanol free acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H28N2O7S2
Molecular Weight	532.629
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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=NSKAASUNQKDGPA-NVBHMFAJSA-N

InChI=1S/C25H28N2O7S2/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)/b25-18+,27-21+

HIDE SMILES / InChI

Molecular Formula	C25H28N2O7S2
Molecular Weight	532.629
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:25:12 GMT 2025` Edited by `admin` on `Wed Apr 02 21:25:12 GMT 2025`
Record UNII	2NP5GW468D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

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

Preferred Name

English

Xylene cyanol free acid

Systematic Name

English

4-[[4-(Ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-6-hydroxy-1,3-benzenedisulfonic acid

Systematic Name

English

Toluene-2,4-disulfonic acid, ?-[4-(ethylamino)-m-tolyl]-?-[4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]-5-hydroxy-

Systematic Name

English

Code System Code Type Description

CAS

2983339-56-4

Created by admin on Wed Apr 02 21:25:12 GMT 2025 , Edited by admin on Wed Apr 02 21:25:12 GMT 2025

ALTERNATIVE

FDA UNII

2NP5GW468D

Created by admin on Wed Apr 02 21:25:12 GMT 2025 , Edited by admin on Wed Apr 02 21:25:12 GMT 2025

PRIMARY

CAS

21563-96-2

Created by admin on Wed Apr 02 21:25:12 GMT 2025 , Edited by admin on Wed Apr 02 21:25:12 GMT 2025

PRIMARY

PUBCHEM

428499

Created by admin on Wed Apr 02 21:25:12 GMT 2025 , Edited by admin on Wed Apr 02 21:25:12 GMT 2025

PRIMARY

Related Record Type Details


					J46U694JYN

Xylene cyanol

SALT/SOLVATE -> PARENT

Amount: