L-648051

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H28O8S
Molecular Weight	476.539
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC1=C(OCCCS(=O)(=O)C2=CC=C(C=C2)C(=O)CCC(O)=O)C=CC(C(C)=O)=C1O

InChI

InChIKey=ZAKKEARLDPTRLX-UHFFFAOYSA-N

InChI=1S/C24H28O8S/c1-3-5-20-22(12-10-19(16(2)25)24(20)29)32-14-4-15-33(30,31)18-8-6-17(7-9-18)21(26)11-13-23(27)28/h6-10,12,29H,3-5,11,13-15H2,1-2H3,(H,27,28)

HIDE SMILES / InChI

Molecular Formula	C24H28O8S
Molecular Weight	476.539
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 `Fri Dec 15 15:58:42 GMT 2023` Edited by `admin` on `Fri Dec 15 15:58:42 GMT 2023`
Record UNII	0LGZ40MB45
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-648051

Code

English

4-((3-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PROPYL)SULFONYL)-.GAMMA.-OXOBENZENEBUTANOIC ACID

Systematic Name

English

BENZENEBUTANOIC ACID, 4-((3-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PROPYL)SULFONYL)-.GAMMA.-OXO-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50238619

Created by admin on Fri Dec 15 15:58:42 GMT 2023 , Edited by admin on Fri Dec 15 15:58:42 GMT 2023

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FDA UNII

0LGZ40MB45

Created by admin on Fri Dec 15 15:58:42 GMT 2023 , Edited by admin on Fri Dec 15 15:58:42 GMT 2023

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CAS

91541-18-3

Created by admin on Fri Dec 15 15:58:42 GMT 2023 , Edited by admin on Fri Dec 15 15:58:42 GMT 2023

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PUBCHEM

122010

Created by admin on Fri Dec 15 15:58:42 GMT 2023 , Edited by admin on Fri Dec 15 15:58:42 GMT 2023

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