3,3'-DIPENTYL-2,2'-OXACARBOCYANINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H33N2O2
Molecular Weight	417.5631
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	1

SHOW SMILES / InChI

Structure of 3,3'-DIPENTYL-2,2'-OXACARBOCYANINE

Structure Search

SMILES

CCCCCN1C(OC2=CC=CC=C12)=C\C=C\C3=[N+](CCCCC)C4=C(O3)C=CC=C4

InChI

InChIKey=ZLQJJALHJYCWSH-UHFFFAOYSA-N

InChI=1S/C27H33N2O2/c1-3-5-11-20-28-22-14-7-9-16-24(22)30-26(28)18-13-19-27-29(21-12-6-4-2)23-15-8-10-17-25(23)31-27/h7-10,13-19H,3-6,11-12,20-21H2,1-2H3/q+1

HIDE SMILES / InChI

Molecular Formula	C27H33N2O2
Molecular Weight	417.5631
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 `Mon Mar 31 18:59:48 GMT 2025` Edited by `admin` on `Mon Mar 31 18:59:48 GMT 2025`
Record UNII	V09PG9N4HQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,3'-DIPENTYL-2,2'-OXACARBOCYANINE

Common Name

English

3-PENTYL-2-(3-(3-PENTYL-2(3H)-BENZOXAZOLYLIDENE)-1-PROPEN-1-YL)BENZOXAZOLIUM

Preferred Name

English

BENZOXAZOLIUM, 3-PENTYL-2-(3-(3-PENTYL-2(3H)-BENZOXAZOLYLIDENE)-1-PROPEN-1-YL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

V09PG9N4HQ