2-(4-HYDROXY-3,5-DIIODOBENZYL)HEXANOIC ACID

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H16I2O3
Molecular Weight	474.0733
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(4-HYDROXY-3,5-DIIODOBENZYL)HEXANOIC ACID

Structure Search

SMILES

CCCCC(CC1=CC(I)=C(O)C(I)=C1)C(O)=O

InChI

InChIKey=IUOJDKLEFIHYPS-UHFFFAOYSA-N

InChI=1S/C13H16I2O3/c1-2-3-4-9(13(17)18)5-8-6-10(14)12(16)11(15)7-8/h6-7,9,16H,2-5H2,1H3,(H,17,18)

HIDE SMILES / InChI

Molecular Formula	C13H16I2O3
Molecular Weight	474.0733
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:44:07 GMT 2023` Edited by `admin` on `Sat Dec 16 07:44:07 GMT 2023`
Record UNII	QJT97I8GMA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(4-HYDROXY-3,5-DIIODOBENZYL)HEXANOIC ACID

Systematic Name

English

2-(4-HYDROXY-3,5-DIIODOBENZYL)HEXANOIC ACID, (±)-

Common Name

English

HYDROCINNAMIC ACID, .ALPHA.-BUTYL-4-HYDROXY-3,5-DIIODO-

Common Name

English

.ALPHA.-BUTYL-4-HYDROXY-3,5-DIIODOHYDROCINNAMIC ACID

Systematic Name

English

BENZENEPROPANOIC ACID, .ALPHA.-BUTYL-4-HYDROXY-3,5-DIIODO-

Common Name

English

.ALPHA.-(4-HYDROXY-3,5-DIIODOBENZYL)CAPROIC ACID

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50937771

Created by admin on Sat Dec 16 07:44:07 GMT 2023 , Edited by admin on Sat Dec 16 07:44:07 GMT 2023

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FDA UNII

QJT97I8GMA

Created by admin on Sat Dec 16 07:44:07 GMT 2023 , Edited by admin on Sat Dec 16 07:44:07 GMT 2023

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PUBCHEM

28220

Created by admin on Sat Dec 16 07:44:07 GMT 2023 , Edited by admin on Sat Dec 16 07:44:07 GMT 2023

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CAS

17048-40-7

Created by admin on Sat Dec 16 07:44:07 GMT 2023 , Edited by admin on Sat Dec 16 07:44:07 GMT 2023

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