(Q27123622)

ZINC04272023 (English)

6 October 2016

chemical formula

C₂₅H₂₅N₂O₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCN1C2=CC=CC=C2OC1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4O3)CC

1 reference

ZINC04272023 (English)

6 October 2016

isomeric SMILES

CCN\1C2=CC=CC=C2O/C1=C\C=C\C=C\C=C\C3=[N+](C4=CC=CC=C4O3)CC

1 reference

ZINC04272023 (English)

InChI=1S/C25H25N2O2/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25/h5-19H,3-4H2,1-2H3/q+1

6 October 2016

Identifiers

InChI

1 reference

ZINC04272023 (English)

YFMAIXBXQGUOBW-UHFFFAOYSA-N

6 October 2016

InChIKey

2 references

ZINC04272023 (English)

reason for deprecated rank

6 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

15185-43-0

applies to other chemical entity

1 reference

C7-oxacyanine cation (English)

6 October 2016

1 reference

1 reference

3-Ethyl-2-[(1E,3E,5E,7E)-7-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)-1,3,5-heptatrien-1-yl]-1,3-benzoxazol-3-ium (English)

6 October 2016

1 reference

ZINC04272023 (English)

6 October 2016

ChEBI ID

52814

mapping relation type

1 reference

C7-oxacyanine cation (English)

ECHA Substance Infocard database

6 October 2016

EC number

239-237-1

1 reference

stated in

ECHA Substance Infocard ID

100.035.655

27 December 2018

ECHA Substance Infocard ID

3-ethyl-2-[7-(3-ethyl-3H-benzoxazol-2-ylidene)hepta-1,3,5-trienyl]benzoxazolium iodide (English)

quotation

CAS no.: 15185-43-0 (English)

100.035.655

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.035.655

27 December 2018