MECOPROP-P-2-ETHYLHEXYL ESTER

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NCATS

Details

Stereochemistry	EPIMERIC
Molecular Formula	C18H27ClO3
Molecular Weight	326.858
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MECOPROP-P-2-ETHYLHEXYL ESTER

Structure Search

SMILES

CCCCC(CC)COC(=O)[C@@H](C)OC1=CC=C(Cl)C=C1C

InChI

InChIKey=NWTKQOOQEPXMMW-GICMACPYSA-N

InChI=1S/C18H27ClO3/c1-5-7-8-15(6-2)12-21-18(20)14(4)22-17-10-9-16(19)11-13(17)3/h9-11,14-15H,5-8,12H2,1-4H3/t14-,15?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H27ClO3
Molecular Weight	326.858
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:23:08 GMT 2023` Edited by `admin` on `Sat Dec 16 11:23:08 GMT 2023`
Record UNII	E874JS6G2W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MECOPROP-P-2-ETHYLHEXYL ESTER

Common Name

English

2-ETHYLHEXYL (R)-2-(2-METHYL-4-CHLOROPHENOXY)PROPIONATE

Systematic Name

English

PROPANOIC ACID, 2-(4-CHLORO-2-METHYLPHENOXY)-, 2-ETHYLHEXYL ESTER, (2R)-

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

31564

Created by admin on Sat Dec 16 11:23:08 GMT 2023 , Edited by admin on Sat Dec 16 11:23:08 GMT 2023

Code System Code Type Description

PUBCHEM

24843401

Created by admin on Sat Dec 16 11:23:08 GMT 2023 , Edited by admin on Sat Dec 16 11:23:08 GMT 2023

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FDA UNII

E874JS6G2W

Created by admin on Sat Dec 16 11:23:08 GMT 2023 , Edited by admin on Sat Dec 16 11:23:08 GMT 2023

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CAS

861229-15-4

Created by admin on Sat Dec 16 11:23:08 GMT 2023 , Edited by admin on Sat Dec 16 11:23:08 GMT 2023

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EPA CompTox

DTXSID7034254

Created by admin on Sat Dec 16 11:23:08 GMT 2023 , Edited by admin on Sat Dec 16 11:23:08 GMT 2023

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