(Q27123620)

3,3'-Diethyloxacarbocyanine (English)

6 October 2016

chemical formula

C₂₁H₂₁N₂O₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

3,3'-Diethyloxacarbocyanine (English)

6 October 2016

isomeric SMILES

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

1 reference

3,3'-Diethyloxacarbocyanine (English)

InChI=1S/C21H21N2O2/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21/h5-15H,3-4H2,1-2H3/q+1

6 October 2016

Identifiers

InChI

1 reference

3,3'-Diethyloxacarbocyanine (English)

VZUFSMBGWBLOCB-UHFFFAOYSA-N

6 October 2016

InChIKey

2 references

3,3'-Diethyloxacarbocyanine (English)

6 October 2016

stated in

ChEBI release 2020-09-01

2 references

C3-oxacyanine cation (English)

VZUFSMBGWBLOCB-UHFFFAOYSA-N

6 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=37069-75-3

1 reference

Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl)- (English)

6 October 2016

1 reference

3,3'-Diethyloxacarbocyanine (English)

6 October 2016

ChEBI ID

52812

mapping relation type

1 reference

C3-oxacyanine cation (English)

6 October 2016

1 reference

CHEMBL1179492 (English)