4-(3-Oxobutyl)phenyl benzoate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H16O3
Molecular Weight	268.3071
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(3-Oxobutyl)phenyl benzoate

Structure Search

SMILES

CC(=O)CCC1=CC=C(OC(=O)C2=CC=CC=C2)C=C1

InChI

InChIKey=SGCBNKSLSODZJZ-UHFFFAOYSA-N

InChI=1S/C17H16O3/c1-13(18)7-8-14-9-11-16(12-10-14)20-17(19)15-5-3-2-4-6-15/h2-6,9-12H,7-8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C17H16O3
Molecular Weight	268.3071
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 `Sat Dec 16 12:17:38 GMT 2023` Edited by `admin` on `Sat Dec 16 12:17:38 GMT 2023`
Record UNII	Q3YHM2J4M5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(3-Oxobutyl)phenyl benzoate

Systematic Name

English

2-Butanone, 4-[4-(benzoyloxy)phenyl]-

Systematic Name

English

4-[4-(Benzoyloxy)phenyl]-2-butanone

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00240742

Created by admin on Sat Dec 16 12:17:38 GMT 2023 , Edited by admin on Sat Dec 16 12:17:38 GMT 2023

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CAS

94135-08-7

Created by admin on Sat Dec 16 12:17:38 GMT 2023 , Edited by admin on Sat Dec 16 12:17:38 GMT 2023

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ECHA (EC/EINECS)

302-876-2

Created by admin on Sat Dec 16 12:17:38 GMT 2023 , Edited by admin on Sat Dec 16 12:17:38 GMT 2023

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FDA UNII

Q3YHM2J4M5

Created by admin on Sat Dec 16 12:17:38 GMT 2023 , Edited by admin on Sat Dec 16 12:17:38 GMT 2023

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PUBCHEM

3023703

Created by admin on Sat Dec 16 12:17:38 GMT 2023 , Edited by admin on Sat Dec 16 12:17:38 GMT 2023

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