(Q27236326)

Disodium 4-((5-chloro-4-methyl-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate (English)

13 October 2016

chemical formula

C₁₈H₁₁ClN₂Na₂O₆S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC(=C(C=C1Cl)N=NC2=C3C=CC=CC3=CC(=C2O)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

1 reference

pigment red 48 (English)

18 November 2016

isomeric SMILES

CC1=CC(=C(C=C1Cl)/N=N/C2=C3C=CC=CC3=CC(=C2O)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

1 reference

pigment red 48 (English)

InChI=1S/C18H13ClN2O6S.2Na/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);;/q;2*+1/p-2/b21-20+;;

18 November 2016

Identifiers

InChI

1 reference

pigment red 48 (English)

NDEREBNOSVNICA-SERMZQFOSA-L

18 November 2016

InChIKey

1 reference

pigment red 48 (English)

18 November 2016

1 reference

pigment red 48 (English)

18 November 2016

1 reference

matched by identifier from

Disodium 4-((5-chloro-4-methyl-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate (English)

18 November 2016

2 references

inferred from InChIKey

InChIKey

NDEREBNOSVNICA-SERMZQFOSA-L

DSSTox substance ID

DTXSID5063075

0 references

DSSTOX compound identifier

DTXCID5039064

0 references

EC number

222-642-2

1 reference

pigment red 48 (English)

ECHA Substance Infocard ID

18 November 2016

100.020.584

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.020.584

27 December 2018

AICS Chemical ID (BEING DELETED)

Disodium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate (English)

quotation

CAS no.: 3564-21-4 (English)

1 reference

28 December 2019

CI 15865 (English)

CAS no.: 3564-21-4 (English)

0 references

1 reference

pigment red 48 (English)

18 November 2016

2 references

pigment red 48 (English)