(Q27269478)

Disodium 2-(4-((1-hydroxy-4-sulphonato-2-naphthyl)azo)phenyl)-6-methylbenzothiazole-7-sulphonate (English)

14 October 2016

chemical formula

C₂₄H₁₅N₃Na₂O₇S₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC=C2C(=C1S(=O)(=O)[O-])SC(=N2)C3=CC=C(C=C3)N=NC4=CC(=C5C=CC=CC5=C4O)S(=O)(=O)[O-].[Na+].[Na+]

1 reference

direct red 45 (English)

14 October 2016

isomeric SMILES

CC1=CC=C2C(=C1S(=O)(=O)[O-])SC(=N2)C3=CC=C(C=C3)/N=N/C4=CC(=C5C=CC=CC5=C4O)S(=O)(=O)[O-].[Na+].[Na+]

1 reference

direct red 45 (English)

InChI=1S/C24H17N3O7S3.2Na/c1-13-6-11-18-22(23(13)37(32,33)34)35-24(25-18)14-7-9-15(10-8-14)26-27-19-12-20(36(29,30)31)16-4-2-3-5-17(16)21(19)28;;/h2-12,28H,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b27-26+;;

14 October 2016

Identifiers

InChI

1 reference

direct red 45 (English)

IUCFJXIRNJWRPI-YOYNBWDYSA-L

14 October 2016

InChIKey

1 reference

direct red 45 (English)

14 October 2016

1 reference

direct red 45 (English)

14 October 2016

1 reference

Disodium 2-(4-((1-hydroxy-4-sulphonato-2-naphthyl)azo)phenyl)-6-methylbenzothiazole-7-sulphonate (English)

14 October 2016

0 references

218-422-0

1 reference

direct red 45 (English)

ECHA Substance Infocard ID

14 October 2016

100.016.748

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.016.748

27 December 2018

Disodium 2-[4-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]phenyl]-6-methylbenzothiazole-7-sulphonate (English)

quotation

CAS no.: 2150-33-6 (English)

2 references

direct red 45 (English)