(Q27261270)

Methyl 2-((3,7-dimethyl-2,6-octadienylidene)amino)benzoate (English)

14 October 2016

chemical formula

C₁₈H₂₃NO₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=CCCC(=CC=NC1=CC=CC=C1C(=O)OC)C)C

1 reference

methyl 2-((3,7-dimethyl-2,6-octadien-1-ylidene)amino)benzoate (English)

14 October 2016

isomeric SMILES

CC(=CCC/C(=C/C=N/C1=CC=CC=C1C(=O)OC)/C)C

1 reference

methyl 2-((3,7-dimethyl-2,6-octadien-1-ylidene)amino)benzoate (English)

InChI=1S/C18H23NO2/c1-14(2)8-7-9-15(3)12-13-19-17-11-6-5-10-16(17)18(20)21-4/h5-6,8,10-13H,7,9H2,1-4H3/b15-12+,19-13+

14 October 2016

Identifiers

InChI

1 reference

methyl 2-((3,7-dimethyl-2,6-octadien-1-ylidene)amino)benzoate (English)

JWXAUDGXBFALGZ-CAOIWOLBSA-N

14 October 2016

InChIKey

1 reference

methyl 2-((3,7-dimethyl-2,6-octadien-1-ylidene)amino)benzoate (English)

14 October 2016

1 reference

methyl 2-((3,7-dimethyl-2,6-octadien-1-ylidene)amino)benzoate (English)

14 October 2016

1 reference

Methyl 2-((3,7-dimethyl-2,6-octadienylidene)amino)benzoate (English)

DSSTOX compound identifier

14 October 2016

DSSTox substance ID

DTXSID1052375

0 references

DTXCID1030947

0 references

EC number

267-168-7

1 reference

methyl 2-((3,7-dimethyl-2,6-octadien-1-ylidene)amino)benzoate (English)

ECHA Substance Infocard ID

14 October 2016

100.061.044

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.061.044

27 December 2018

AICS Chemical ID (BEING DELETED)

Methyl 2-[(3,7-dimethyl-2,6-octadienylidene)amino]benzoate (English)

quotation

CAS no.: 67801-47-2 (English)

1 reference

28 December 2019

CITRAL / METHYL ANTHRANILATE SCHIFF BASE (English)

quotation

CAS no.: 67801-47-2 (English)

0 references

2 references

methyl 2-((3,7-dimethyl-2,6-octadien-1-ylidene)amino)benzoate (English)