3,3'-DIHEXYLOXACARBOCYANINE IODIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H37N2O2.I
Molecular Weight	572.5208
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 3,3'-DIHEXYLOXACARBOCYANINE IODIDE

Structure Search

SMILES

[I-].CCCCCCN1\C(OC2=C1C=CC=C2)=C\C=C\C3=[N+](CCCCCC)C4=C(O3)C=CC=C4

InChI

InChIKey=XVLXYDXJEKLXHN-UHFFFAOYSA-M

InChI=1S/C29H37N2O2.HI/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;1H/q+1;/p-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

Molecular Formula	I
Molecular Weight	126.90447
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:39:02 GMT 2025` Edited by `admin` on `Wed Apr 02 08:39:02 GMT 2025`
Record UNII	NL6XJC6U28
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

D-273

Preferred Name

English

3,3'-DIHEXYLOXACARBOCYANINE IODIDE

Common Name

English

BENZOXAZOLIUM, 3-HEXYL-2-(3-(3-HEXYL-2(3H)-BENZOXAZOLYLIDENE)-1-PROPENYL)-, IODIDE

Systematic Name

English

3-HEXYL-2-(3-(3-HEXYLBENZO(D)OXAZOL-2(3H)-YLIDENE)PROP-1-EN-1-YL)-3H-BENZO(D)OXAZOL-1-IUM IODIDE

Systematic Name

English

DIOC6(3)

Common Name

English

DIOC6

Common Name

English

NK-2280

Code

English

Code System Code Type Description

FDA UNII

NL6XJC6U28