3,3?-(1,4-Phenylene)bis[5-[4-(pentyloxy)phenyl]isoxazole]

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H36N2O4
Molecular Weight	536.6606
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,3?-(1,4-Phenylene)bis[5-[4-(pentyloxy)phenyl]isoxazole]

Structure Search

SMILES

CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C4=NOC(=C4)C5=CC=C(OCCCCC)C=C5

InChI

InChIKey=QHJMLMMIQBHIQB-UHFFFAOYSA-N

InChI=1S/C34H36N2O4/c1-3-5-7-21-37-29-17-13-27(14-18-29)33-23-31(35-39-33)25-9-11-26(12-10-25)32-24-34(40-36-32)28-15-19-30(20-16-28)38-22-8-6-4-2/h9-20,23-24H,3-8,21-22H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C34H36N2O4
Molecular Weight	536.6606
Charge	0
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 20:09:05 GMT 2025` Edited by `admin` on `Wed Apr 02 20:09:05 GMT 2025`
Record UNII	MJF22CAW8E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,3?-(1,4-Phenylene)bis[5-[4-(pentyloxy)phenyl]isoxazole]

Systematic Name

English

Isoxazole, 3,3?-(1,4-phenylene)bis[5-[4-(pentyloxy)phenyl]-

Preferred Name

English

Code System Code Type Description

CAS

656836-30-5

Created by admin on Wed Apr 02 20:09:05 GMT 2025 , Edited by admin on Wed Apr 02 20:09:05 GMT 2025

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PUBCHEM

18448697

Created by admin on Wed Apr 02 20:09:05 GMT 2025 , Edited by admin on Wed Apr 02 20:09:05 GMT 2025

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FDA UNII

MJF22CAW8E

Created by admin on Wed Apr 02 20:09:05 GMT 2025 , Edited by admin on Wed Apr 02 20:09:05 GMT 2025

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