4-Carboxyphenyl 4-(hexyloxy)benzoate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H22O5
Molecular Weight	342.3857
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Carboxyphenyl 4-(hexyloxy)benzoate

Structure Search

SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(O)=O

InChI

InChIKey=VQLWORYWCJWAAP-UHFFFAOYSA-N

InChI=1S/C20H22O5/c1-2-3-4-5-14-24-17-10-8-16(9-11-17)20(23)25-18-12-6-15(7-13-18)19(21)22/h6-13H,2-5,14H2,1H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula	C20H22O5
Molecular Weight	342.3857
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 `Tue Apr 01 19:10:24 GMT 2025` Edited by `admin` on `Tue Apr 01 19:10:24 GMT 2025`
Record UNII	G4X6L7VS35
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzoic acid, 4-(hexyloxy)-, 4-carboxyphenyl ester

Preferred Name

English

4-Carboxyphenyl 4-(hexyloxy)benzoate

Systematic Name

English

Code System Code Type Description

FDA UNII

G4X6L7VS35

Created by admin on Tue Apr 01 19:10:24 GMT 2025 , Edited by admin on Tue Apr 01 19:10:24 GMT 2025

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PUBCHEM

104354

Created by admin on Tue Apr 01 19:10:24 GMT 2025 , Edited by admin on Tue Apr 01 19:10:24 GMT 2025

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CAS

52899-68-0

Created by admin on Tue Apr 01 19:10:24 GMT 2025 , Edited by admin on Tue Apr 01 19:10:24 GMT 2025

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EPA CompTox

DTXSID10200938

Created by admin on Tue Apr 01 19:10:24 GMT 2025 , Edited by admin on Tue Apr 01 19:10:24 GMT 2025

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ECHA (EC/EINECS)

258-246-1

Created by admin on Tue Apr 01 19:10:24 GMT 2025 , Edited by admin on Tue Apr 01 19:10:24 GMT 2025

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