TRIHEPTYLUNDECANOIN

Details

Stereochemistry	MIXED
Molecular Formula	C57H110O6
Molecular Weight	891.4797
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCC(CCCCCCC)C(=O)OCC(COC(=O)C(CCCCCCC)CCCCCCCCC)OC(=O)C(CCCCCCC)CCCCCCCCC

InChI

InChIKey=QPFYLWLAVIDSQI-UHFFFAOYSA-N

InChI=1S/C57H110O6/c1-7-13-19-25-28-34-40-45-51(43-37-31-22-16-10-4)55(58)61-49-54(63-57(60)53(47-39-33-24-18-12-6)48-42-36-30-27-21-15-9-3)50-62-56(59)52(44-38-32-23-17-11-5)46-41-35-29-26-20-14-8-2/h51-54H,7-50H2,1-6H3

HIDE SMILES / InChI

Molecular Formula	C57H110O6
Molecular Weight	891.4797
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:11:52 GMT 2023` Edited by `admin` on `Sat Dec 16 10:11:52 GMT 2023`
Record UNII	I6065IM227
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIHEPTYLUNDECANOIN

Official Name

English

UNDECANOIC ACID, 2-HEPTYL-, 1,1'-(1,2,3-PROPANETRIYL) ESTER

Systematic Name

English

TRIHEPTYLUNDECANOIN [INCI]

Common Name

English

Code System Code Type Description

CAS

105214-66-2

Created by admin on Sat Dec 16 10:11:52 GMT 2023 , Edited by admin on Sat Dec 16 10:11:52 GMT 2023

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PUBCHEM

15789864

Created by admin on Sat Dec 16 10:11:52 GMT 2023 , Edited by admin on Sat Dec 16 10:11:52 GMT 2023

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FDA UNII

I6065IM227

Created by admin on Sat Dec 16 10:11:52 GMT 2023 , Edited by admin on Sat Dec 16 10:11:52 GMT 2023

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EPA CompTox

DTXSID00883158

Created by admin on Sat Dec 16 10:11:52 GMT 2023 , Edited by admin on Sat Dec 16 10:11:52 GMT 2023

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