pigment red 48 magnesium (Q27236628)

Magnesium 4-[(E)-(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate (English)

13 October 2016

chemical formula

C₁₈H₁₁ClMgN₂O₆S

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-].[Mg+2]

1 reference

pigment red 48 magnesium (English)

13 October 2016

isomeric SMILES

CC1=CC(=C(C=C1Cl)/N=N/C2=C3C=CC=CC3=CC(=C2O)C(=O)[O-])S(=O)(=O)[O-].[Mg+2]

1 reference

pigment red 48 magnesium (English)

InChI=1S/C18H13ClN2O6S.Mg/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/p-2/b21-20+;

13 October 2016

Identifiers

InChI

1 reference

pigment red 48 magnesium (English)

LRWZOMLPQCOBKP-ANVLNOONSA-L

13 October 2016

InChIKey

1 reference

pigment red 48 magnesium (English)

13 October 2016

1 reference

pigment red 48 magnesium (English)

13 October 2016

1 reference

Magnesium 4-[(E)-(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate (English)

DSSTOX compound identifier

13 October 2016

DSSTox substance ID

DTXSID30888010

0 references

DTXCID301027292

0 references

EC number

276-056-7

1 reference

pigment red 48 magnesium (English)

ECHA Substance Infocard ID

13 October 2016

100.069.121

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.069.121

27 December 2018

AICS Chemical ID (BEING DELETED)

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

quotation

CAS no.: 71832-83-2 (English)

0 references

2 references

pigment red 48 magnesium (English)