NEOPENTYL 2,3,5,6-TETRAMETHYLBENZOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H24O2
Molecular Weight	248.3606
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NEOPENTYL 2,3,5,6-TETRAMETHYLBENZOATE

Structure Search

SMILES

CC1=CC(C)=C(C)C(C(=O)OCC(C)(C)C)=C1C

InChI

InChIKey=WVOJUBWOSLBWCW-UHFFFAOYSA-N

InChI=1S/C16H24O2/c1-10-8-11(2)13(4)14(12(10)3)15(17)18-9-16(5,6)7/h8H,9H2,1-7H3

HIDE SMILES / InChI

Molecular Formula	C16H24O2
Molecular Weight	248.3606
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 12:38:09 GMT 2023` Edited by `admin` on `Sat Dec 16 12:38:09 GMT 2023`
Record UNII	ZZ49Z7P8ES
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEOPENTYL 2,3,5,6-TETRAMETHYLBENZOATE

Systematic Name

English

BENZOIC ACID, 2,3,5,6-TETRAMETHYL-, 2,2-DIMETHYLPROPYL ESTER

Systematic Name

English

NSC-407672

Code

English

Code System Code Type Description

CAS

7499-55-0

Created by admin on Sat Dec 16 12:38:09 GMT 2023 , Edited by admin on Sat Dec 16 12:38:09 GMT 2023

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PUBCHEM

348397

Created by admin on Sat Dec 16 12:38:09 GMT 2023 , Edited by admin on Sat Dec 16 12:38:09 GMT 2023

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NSC

407672

Created by admin on Sat Dec 16 12:38:09 GMT 2023 , Edited by admin on Sat Dec 16 12:38:09 GMT 2023

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FDA UNII

ZZ49Z7P8ES

Created by admin on Sat Dec 16 12:38:09 GMT 2023 , Edited by admin on Sat Dec 16 12:38:09 GMT 2023

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EPA CompTox

DTXSID10225949

Created by admin on Sat Dec 16 12:38:09 GMT 2023 , Edited by admin on Sat Dec 16 12:38:09 GMT 2023

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