acid blue 120 (Q27252514)

Disodium 8-[(4-methylphenyl)amino]-5-[(E)-{4-[(E)-(3-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl]-1-naphthalenesulfonate (English)

14 October 2016

chemical formula

C₃₃H₂₃N₅Na₂O₆S₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC=C(C=C1)NC2=CC=C(C3=C2C(=CC=C3)S(=O)(=O)[O-])N=NC4=CC=C(C5=C4C=CC=C5)N=NC6=CC=CC(=C6)S(=O)(=O)[O-].[Na+].[Na+]

1 reference

acid blue 120 (English)

14 October 2016

isomeric SMILES

CC1=CC=C(C=C1)NC2=CC=C(C3=C2C(=CC=C3)S(=O)(=O)[O-])/N=N/C4=CC=C(C5=C4C=CC=C5)/N=N/C6=CC=CC(=C6)S(=O)(=O)[O-].[Na+].[Na+]

1 reference

acid blue 120 (English)

InChI=1S/C33H25N5O6S2.2Na/c1-21-12-14-22(15-13-21)34-31-19-18-30(27-10-5-11-32(33(27)31)46(42,43)44)38-37-29-17-16-28(25-8-2-3-9-26(25)29)36-35-23-6-4-7-24(20-23)45(39,40)41;;/h2-20,34H,1H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b36-35+,38-37+;;

14 October 2016

Identifiers

InChI

1 reference

acid blue 120 (English)

BMYUQZABARGLAD-GGNJJQLWSA-L

14 October 2016

InChIKey

1 reference

acid blue 120 (English)

14 October 2016

1 reference

acid blue 120 (English)

14 October 2016

1 reference

Disodium 8-[(4-methylphenyl)amino]-5-[(E)-{4-[(E)-(3-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl]-1-naphthalenesulfonate (English)

DSSTOX compound identifier

14 October 2016

DSSTox substance ID

DTXSID7044924

0 references

0 references

0 references

222-554-4

1 reference

acid blue 120 (English)

ECHA Substance Infocard ID

14 October 2016

100.020.505

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.020.505

27 December 2018

AICS Chemical ID (BEING DELETED)

Disodium 8-(4-methylphenylamino)-5-(4-(3-sulphonatophenylazo)-1-naphthylazo)naphthalenesulphonate (English)

quotation

CAS no.: 3529-01-9 (English)

0 references

2 references

acid blue 120 (English)