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Details

Stereochemistry ACHIRAL
Molecular Formula C30H54O8
Molecular Weight 542.745
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((1-Oxobutoxy)methyl)-2-(((1-oxoheptyl)oxy)methyl)propane-1,3-diyl bisheptanoate

SMILES

CCCCCCC(=O)OCC(COC(=O)CCC)(COC(=O)CCCCCC)COC(=O)CCCCCC

InChI

InChIKey=DHTLVXVGJKYARR-UHFFFAOYSA-N
InChI=1S/C30H54O8/c1-5-9-12-15-19-27(32)36-23-30(22-35-26(31)18-8-4,24-37-28(33)20-16-13-10-6-2)25-38-29(34)21-17-14-11-7-3/h5-25H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-((1-Oxobutoxy)methyl)-2-(((1-oxoheptyl)oxy)methyl)propane-1,3-diyl bisheptanoate
Systematic Name English
Pentaerythritol monobutyrate triheptanoate
Systematic Name English
Pentaerythrityl triheptanoate butyrate
Systematic Name English
Heptanoic acid, 1,1′-[2-[(1-oxobutoxy)methyl]-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester
Systematic Name English
1,1′-[2-[(1-Oxobutoxy)methyl]-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] diheptanoate
Systematic Name English
Code System Code Type Description
PUBCHEM
122952
Created by admin on Sat Dec 16 12:08:01 GMT 2023 , Edited by admin on Sat Dec 16 12:08:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID10186425
Created by admin on Sat Dec 16 12:08:01 GMT 2023 , Edited by admin on Sat Dec 16 12:08:01 GMT 2023
PRIMARY
CAS
32753-14-3
Created by admin on Sat Dec 16 12:08:01 GMT 2023 , Edited by admin on Sat Dec 16 12:08:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
251-198-2
Created by admin on Sat Dec 16 12:08:01 GMT 2023 , Edited by admin on Sat Dec 16 12:08:01 GMT 2023
PRIMARY
FDA UNII
98FCV6V76H
Created by admin on Sat Dec 16 12:08:01 GMT 2023 , Edited by admin on Sat Dec 16 12:08:01 GMT 2023
PRIMARY
NIH
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