DIHEPTYLUNDECYL ADIPATE

Details

Stereochemistry	MIXED
Molecular Formula	C42H82O4
Molecular Weight	651.0981
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCC(CCCCCCC)COC(=O)CCCCC(=O)OCC(CCCCCCC)CCCCCCCCC

InChI

InChIKey=ATAJZVDXFMMOFG-UHFFFAOYSA-N

InChI=1S/C42H82O4/c1-5-9-13-17-19-23-27-33-39(31-25-21-15-11-7-3)37-45-41(43)35-29-30-36-42(44)46-38-40(32-26-22-16-12-8-4)34-28-24-20-18-14-10-6-2/h39-40H,5-38H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C42H82O4
Molecular Weight	651.0981
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:59:32 GMT 2025` Edited by `admin` on `Mon Mar 31 20:59:32 GMT 2025`
Record UNII	000BPI4XCV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DIHEPTYLUNDECYL ADIPATE

Official Name

English

NS-218

Preferred Name

English

HEXANEDIOIC ACID, 1,6-BIS(2-HEPTYLUNDECYL) ESTER

Common Name

English

HEXANEDIOIC ACID, BIS(2-HEPTYLUNDECYL) ESTER

Common Name

English

Code System Code Type Description

PUBCHEM

53660660

Created by admin on Mon Mar 31 20:59:32 GMT 2025 , Edited by admin on Mon Mar 31 20:59:32 GMT 2025

PRIMARY

EPA CompTox

DTXSID40904619

Created by admin on Mon Mar 31 20:59:32 GMT 2025 , Edited by admin on Mon Mar 31 20:59:32 GMT 2025

PRIMARY

FDA UNII

000BPI4XCV

Created by admin on Mon Mar 31 20:59:32 GMT 2025 , Edited by admin on Mon Mar 31 20:59:32 GMT 2025

PRIMARY

CAS

155613-91-5

Created by admin on Mon Mar 31 20:59:32 GMT 2025 , Edited by admin on Mon Mar 31 20:59:32 GMT 2025

PRIMARY