reactive red 1 (Q27290579)

Trisodium 5-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulphonatophenyl)azo)naphthalene-2,7-disulphonate (English)

14 October 2016

chemical formula

C₁₉H₉Cl₂N₆Na₃O₁₀S₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC=C(C(=C1)N=NC2=C(C=C3C=C(C=C(C3=C2O)NC4=NC(=NC(=N4)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

1 reference

reactive red 1 (English)

14 October 2016

isomeric SMILES

C1=CC=C(C(=C1)/N=N/C2=C(C=C3C=C(C=C(C3=C2O)NC4=NC(=NC(=N4)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

1 reference

reactive red 1 (English)

InChI=1S/C19H12Cl2N6O10S3.3Na/c20-17-23-18(21)25-19(24-17)22-11-7-9(38(29,30)31)5-8-6-13(40(35,36)37)15(16(28)14(8)11)27-26-10-3-1-2-4-12(10)39(32,33)34;;;/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,22,23,24,25);;;/q;3*+1/p-3/b27-26+;;;

14 October 2016

Identifiers

InChI

1 reference

reactive red 1 (English)

YQEHHPFEQLDFCN-DTBIJOOYSA-K

14 October 2016

InChIKey

1 reference

reactive red 1 (English)

14 October 2016

1 reference

reactive red 1 (English)

14 October 2016

1 reference

DSSTOX compound identifier

Trisodium 5-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulphonatophenyl)azo)naphthalene-2,7-disulphonate (English)

14 October 2016

0 references

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241-743-2

1 reference

reactive red 1 (English)

ECHA Substance Infocard ID

14 October 2016

100.037.933

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.037.933

27 December 2018

AICS Chemical ID (BEING DELETED)

Trisodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate (English)

quotation

CAS no.: 17752-85-1 (English)

0 references

1 reference

Medical Subject Headings

14 March 2018

1 reference

reactive red 1 (English)