NH-3

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H27NO6
Molecular Weight	473.5171
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=CC(CC2=C(C)C=C(OCC(O)=O)C=C2C)=CC(C#CC3=CC=C(C=C3)[N+]([O-])=O)=C1O

InChI

InChIKey=IXMROOKFPWGDGF-UHFFFAOYSA-N

InChI=1S/C28H27NO6/c1-17(2)25-14-21(15-26-18(3)11-24(12-19(26)4)35-16-27(30)31)13-22(28(25)32)8-5-20-6-9-23(10-7-20)29(33)34/h6-7,9-14,17,32H,15-16H2,1-4H3,(H,30,31)

HIDE SMILES / InChI

Molecular Formula	C28H27NO6
Molecular Weight	473.5171
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 `Mon Mar 31 22:28:52 GMT 2025` Edited by `admin` on `Mon Mar 31 22:28:52 GMT 2025`
Record UNII	54KY638G8W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NH-3

Common Name

English

ACETIC ACID, (4-((4-HYDROXY-3-(1-METHYLETHYL)-5-((4-NITROPHENYL)ETHYNYL)PHENYL)METHYL)-3,5-DIMETHYLPHENOXY)-

Preferred Name

English

ACETIC ACID, 2-(4-((4-HYDROXY-3-(1-METHYLETHYL)-5-(2-(4-NITROPHENYL)ETHYNYL)PHENYL)METHYL)-3,5-DIMETHYLPHENOXY)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

10027822

Created by admin on Mon Mar 31 22:28:52 GMT 2025 , Edited by admin on Mon Mar 31 22:28:52 GMT 2025

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EPA CompTox

DTXSID001033230

Created by admin on Mon Mar 31 22:28:52 GMT 2025 , Edited by admin on Mon Mar 31 22:28:52 GMT 2025

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CAS

447415-26-1

Created by admin on Mon Mar 31 22:28:52 GMT 2025 , Edited by admin on Mon Mar 31 22:28:52 GMT 2025

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FDA UNII

54KY638G8W

Created by admin on Mon Mar 31 22:28:52 GMT 2025 , Edited by admin on Mon Mar 31 22:28:52 GMT 2025

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Related Record Type Details


					54KY638G8W

NH-3

ACTIVE MOIETY