TRIMETHYLPENTANEDIYL DIBENZOATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H26O4
Molecular Weight	354.4394
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRIMETHYLPENTANEDIYL DIBENZOATE

Structure Search

SMILES

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

InChI

InChIKey=FTSXVYQZLNPTCM-UHFFFAOYSA-N

InChI=1S/C22H26O4/c1-16(2)19(26-21(24)18-13-9-6-10-14-18)22(3,4)15-25-20(23)17-11-7-5-8-12-17/h5-14,16,19H,15H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C22H26O4
Molecular Weight	354.4394
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 `Wed Apr 02 18:27:35 GMT 2025` Edited by `admin` on `Wed Apr 02 18:27:35 GMT 2025`
Record UNII	Y8PB83G67A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIMETHYLPENTANEDIYL DIBENZOATE

Official Name

English

BENZOFLEX 354

Preferred Name

English

(±)-TRIMETHYLPENTANEDIYL DIBENZOATE

Systematic Name

English

2,2,4-TRIMETHYLPENTANE-1,3-DIYL DIBENZOATE

Systematic Name

English

2,2,4-TRIMETHYL-1,3-PENTANEDIYL DIBENZOATE

Systematic Name

English

2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIBENZOATE

Systematic Name

English

TRIMETHYLPENTANEDIYL DIBENZOATE, (±)-

Systematic Name

English

1,3-PENTANEDIOL, 2,2,4-TRIMETHYL-, DIBENZOATE

Systematic Name

English

Code System Code Type Description

RXCUI

1437987

Created by admin on Wed Apr 02 18:27:35 GMT 2025 , Edited by admin on Wed Apr 02 18:27:35 GMT 2025

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RxNorm

ECHA (EC/EINECS)

268-316-3

Created by admin on Wed Apr 02 18:27:35 GMT 2025 , Edited by admin on Wed Apr 02 18:27:35 GMT 2025

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EPA CompTox

DTXSID8041242

Created by admin on Wed Apr 02 18:27:35 GMT 2025 , Edited by admin on Wed Apr 02 18:27:35 GMT 2025

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DAILYMED

Y8PB83G67A

Created by admin on Wed Apr 02 18:27:35 GMT 2025 , Edited by admin on Wed Apr 02 18:27:35 GMT 2025

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FDA UNII

Y8PB83G67A

Created by admin on Wed Apr 02 18:27:35 GMT 2025 , Edited by admin on Wed Apr 02 18:27:35 GMT 2025

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CAS

68052-23-3

Created by admin on Wed Apr 02 18:27:35 GMT 2025 , Edited by admin on Wed Apr 02 18:27:35 GMT 2025

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PUBCHEM

107080

Created by admin on Wed Apr 02 18:27:35 GMT 2025 , Edited by admin on Wed Apr 02 18:27:35 GMT 2025

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