pigment yellow 97 (Q27271244)

N-(4-Chloro-2,5-dimethoxyphenyl)-2-{(E)-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]diazenyl}-3-oxobutanamide (English)

14 October 2016

chemical formula

C₂₆H₂₇ClN₄O₈S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)C(C(=O)NC1=CC(=C(C=C1OC)Cl)OC)N=NC2=CC(=C(C=C2OC)S(=O)(=O)NC3=CC=CC=C3)OC

1 reference

pigment yellow 97 (English)

14 October 2016

isomeric SMILES

CC(=O)C(C(=O)NC1=CC(=C(C=C1OC)Cl)OC)/N=N/C2=CC(=C(C=C2OC)S(=O)(=O)NC3=CC=CC=C3)OC

1 reference

pigment yellow 97 (English)

InChI=1S/C26H27ClN4O8S/c1-15(32)25(26(33)28-18-12-20(36-2)17(27)11-21(18)37-3)30-29-19-13-23(39-5)24(14-22(19)38-4)40(34,35)31-16-9-7-6-8-10-16/h6-14,25,31H,1-5H3,(H,28,33)/b30-29+

14 October 2016

Identifiers

InChI

1 reference

pigment yellow 97 (English)

WNWZKKBGFYKSGA-QVIHXGFCSA-N

14 October 2016

InChIKey

1 reference

pigment yellow 97 (English)

14 October 2016

1 reference

pigment yellow 97 (English)

14 October 2016

1 reference

matched by identifier from

N-(4-Chloro-2,5-dimethoxyphenyl)-2-{(E)-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]diazenyl}-3-oxobutanamide (English)

14 October 2016

0 references

2 references

inferred from InChIKey

InChIKey

WNWZKKBGFYKSGA-QVIHXGFCSA-N

1 reference

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

1 reference

pigment yellow 97 (English)

ECHA Substance Infocard ID

14 October 2016

100.032.195

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.032.195

27 December 2018

N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2,5-dimethoxy-4-[(phenylamino)sulphonyl]phenyl]azo]-3-oxobutyramide (English)

quotation

CAS no.: 12225-18-2 (English)

2 references

pigment yellow 97 (English)