xylene cyanol (Q2734627)

Xylene cyanol (English)

imported from Wikimedia project

15 September 2016

chemical formula

C₂₅H₂₇N₂NaO₆S₂

1 reference

Italian Wikipedia

canonical SMILES

CCNC1=CC=C(C=C1C)C(=C2C=CC(=NCC)C(=C2)C)C3=CC=C(C=C3OS(=O)O)OS(=O)[O-].[Na+]

1 reference

Xylene cyanol (English)

15 September 2016

isomeric SMILES

CCNC1=CC=C(C=C1C)/C(=C/2\C=C/C(=N/CC)/C(=C2)/C)/C3=CC=C(C=C3OS(=O)O)OS(=O)[O-].[Na+]

1 reference

Xylene cyanol (English)

InChI=1S/C25H28N2O6S2.Na/c1-5-26-22-11-7-18(13-16(22)3)25(19-8-12-23(27-6-2)17(4)14-19)21-10-9-20(32-34(28)29)15-24(21)33-35(30)31;/h7-15,26H,5-6H2,1-4H3,(H,28,29)(H,30,31);/q;+1/p-1/b25-19-,27-23-;

15 September 2016

Identifiers

InChI

1 reference

Xylene cyanol (English)

NLIVDORGVGAOOJ-KRQUPCAFSA-M

15 September 2016

InChIKey

1 reference

Xylene cyanol (English)

imported from Wikimedia project

15 September 2016

CAS Registry Number

2650-17-1

1 reference

1 reference

Xylene cyanol (English)

imported from Wikimedia project

15 September 2016

PubChem CID

23687514

1 reference

1 reference

0 references

DSSTOX compound identifier

DTXCID701023359

0 references

EC number

220-167-5

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.018.334

27 December 2018

ECHA Substance Infocard ID

Sodium hydrogen 4-[[4-(ethylamino)-m-tolyl][4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulphonate (English)

quotation

CAS no.: 2650-17-1 (English)

100.018.334

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.018.334

27 December 2018