chromotrope 2b (Q27269278)

C.I. Acid Red 176 (English)

14 October 2016

chemical formula

C₁₆H₉N₃Na₂O₁₀S₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=CC=C1N=NC2=C(C=C3C=C(C=C(C3=C2O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+]

1 reference

chromotrope 2b (English)

14 October 2016

isomeric SMILES

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

1 reference

chromotrope 2b (English)

InChI=1S/C16H11N3O10S2.2Na/c20-12-7-11(30(24,25)26)5-8-6-13(31(27,28)29)15(16(21)14(8)12)18-17-9-1-3-10(4-2-9)19(22)23;;/h1-7,20-21H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b18-17+;;

14 October 2016

Identifiers

InChI

1 reference

chromotrope 2b (English)

14 October 2016

1 reference

chromotrope 2b (English)

14 October 2016

1 reference

chromotrope 2b (English)

14 October 2016

1 reference

matched by identifier from

C.I. Acid Red 176 (English)

14 October 2016

0 references

2 references

inferred from InChIKey

matched by identifier from

SCHEMBL590957

2 references

based on heuristic

inferred from InChIKey

DSSTOX compound identifier

DSSTox substance ID

DTXSID0060278

0 references

0 references

0 references

208-959-9

1 reference

chromotrope 2b (English)

ECHA Substance Infocard ID

14 October 2016

100.008.146

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.146

27 December 2018

Disodium 4,5-dihydroxy-3-(p-nitrophenylazo)naphthalene-2,7-disulphonate (English)

quotation

CAS no.: 548-80-1 (English)

2 references

chromotrope 2b (English)

matched by identifier from

14 October 2016