(Q27284641)

Disodium 2-{4-[(E)-{1-[(2-methoxyphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl]-3-sulfonatophenyl}-6-methyl-1,3-benzothiazole-7-sulfonate (English)

14 October 2016

chemical formula

C₂₅H₂₀N₄Na₂O₉S₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC=C2C(=C1S(=O)(=O)[O-])SC(=N2)C3=CC=C(C(=C3)S(=O)(=O)[O-])N=NC(C(=O)C)C(=O)NC4=CC=CC=C4OC.[Na+].[Na+]

1 reference

direct yellow 27 (English)

14 October 2016

isomeric SMILES

CC1=CC=C2C(=C1S(=O)(=O)[O-])SC(=N2)C3=CC=C(C(=C3)S(=O)(=O)[O-])/N=N/C(C(=O)C)C(=O)NC4=CC=CC=C4OC.[Na+].[Na+]

1 reference

direct yellow 27 (English)

InChI=1S/C25H22N4O9S3.2Na/c1-13-8-10-18-22(23(13)41(35,36)37)39-25(27-18)15-9-11-17(20(12-15)40(32,33)34)28-29-21(14(2)30)24(31)26-16-6-4-5-7-19(16)38-3;;/h4-12,21H,1-3H3,(H,26,31)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/b29-28+;;

14 October 2016

Identifiers

InChI

1 reference

direct yellow 27 (English)

WLDNGJFRVWQASY-NTDCDQSISA-L

14 October 2016

InChIKey

1 reference

direct yellow 27 (English)

14 October 2016

1 reference

direct yellow 27 (English)

14 October 2016

1 reference

Disodium 2-{4-[(E)-{1-[(2-methoxyphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl]-3-sulfonatophenyl}-6-methyl-1,3-benzothiazole-7-sulfonate (English)

DSSTOX compound identifier

14 October 2016

DSSTox substance ID

DTXSID10889585

0 references

0 references

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233-461-3

1 reference

direct yellow 27 (English)

ECHA Substance Infocard ID

14 October 2016

100.030.407

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.030.407

27 December 2018

AICS Chemical ID (BEING DELETED)

Disodium 2-[4-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-sulphonatophenyl]-6-methylbenzothiazole-7-sulphonate (English)

quotation

CAS no.: 10190-68-8 (English)

0 references

1 reference

direct yellow 27 (English)