(Q27162450)

Sodium 5-chloro-2-{5-hydroxy-3-methyl-4-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]-1H-pyrazol-1-yl}benzenesulfonate (English)

9 October 2016

chemical formula

C₂₃H₁₈ClN₄NaO₇S₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC=3C(C)=NN(C=4C=CC(=CC4S(O)(=O)=O)Cl)C3[O-].[Na+]

1 reference

Milling yellow 3G (English)

InChI=1S/C23H19ClN4O7S2.Na/c1-14-3-10-19(11-4-14)37(33,34)35-18-8-6-17(7-9-18)25-26-22-15(2)27-28(23(22)29)20-12-5-16(24)13-21(20)36(30,31)32;/h3-13,29H,1-2H3,(H,30,31,32);/q;+1/p-1

9 October 2016

Identifiers

InChI

1 reference

Milling yellow 3G (English)

UMQAIKKJIZYHQC-UHFFFAOYSA-M

9 October 2016

InChIKey

2 references

Milling yellow 3G (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Milling yellow 3G (English)

9 October 2016

1 reference

Sodium 5-chloro-2-{5-hydroxy-3-methyl-4-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]-1H-pyrazol-1-yl}benzenesulfonate (English)

9 October 2016

ChEBI ID

90287

mapping relation type

1 reference

Milling yellow 3G (English)

DSSTOX compound identifier

9 October 2016

DSSTox substance ID

DTXSID70884278

0 references

0 references

0 references

228-907-9

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.026.280

27 December 2018

ECHA Substance Infocard ID

Sodium 5-chloro-2-(5-hydroxy-3-methyl-4-(4-((4-methylphenyl)sulphonyloxy)phenylazo)pyrazol-1-yl)benzenesulphonate (English)

quotation

CAS no.: 6372-96-9 (English)

100.026.280

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.026.280

27 December 2018