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Details

Stereochemistry ACHIRAL
Molecular Formula C29H37N2O2
Molecular Weight 445.6163
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 1

SHOW SMILES / InChI
Structure of 3,3'-DIHEXYL-2,2'-OXACARBOCYANINE

SMILES

CCCCCCN1\C(OC2=CC=CC=C12)=C/C=C/C3=[N+](CCCCCC)C4=CC=CC=C4O3

InChI

InChIKey=GKLGUKVTTNJEBK-UHFFFAOYSA-N
InChI=1S/C29H37N2O2/c1-3-5-7-13-22-30-24-16-9-11-18-26(24)32-28(30)20-15-21-29-31(23-14-8-6-4-2)25-17-10-12-19-27(25)33-29/h9-12,15-21H,3-8,13-14,22-23H2,1-2H3/q+1

HIDE SMILES / InChI

Molecular Formula C29H37N2O2
Molecular Weight 445.6163
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:39:20 GMT 2023
Edited
by admin
on Sat Dec 16 08:39:20 GMT 2023
Record UNII
V7MKN24YHG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3'-DIHEXYL-2,2'-OXACARBOCYANINE
Common Name English
3-Hexyl-2-[3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]benzoxazolium
Systematic Name English
Benzoxazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80866308
Created by admin on Sat Dec 16 08:39:20 GMT 2023 , Edited by admin on Sat Dec 16 08:39:20 GMT 2023
PRIMARY
FDA UNII
V7MKN24YHG
Created by admin on Sat Dec 16 08:39:20 GMT 2023 , Edited by admin on Sat Dec 16 08:39:20 GMT 2023
PRIMARY
PUBCHEM
6367922
Created by admin on Sat Dec 16 08:39:20 GMT 2023 , Edited by admin on Sat Dec 16 08:39:20 GMT 2023
PRIMARY
CAS
54501-79-0
Created by admin on Sat Dec 16 08:39:20 GMT 2023 , Edited by admin on Sat Dec 16 08:39:20 GMT 2023
PRIMARY
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