U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C26H24O6
Molecular Weight 432.4652
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIMETHYLOLETHYL TRIBENZOATE

SMILES

CC(COC(=O)C1=CC=CC=C1)(COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3

InChI

InChIKey=PJLLCGNQPWXWGL-UHFFFAOYSA-N
InChI=1S/C26H24O6/c1-26(17-30-23(27)20-11-5-2-6-12-20,18-31-24(28)21-13-7-3-8-14-21)19-32-25(29)22-15-9-4-10-16-22/h2-16H,17-19H2,1H3

HIDE SMILES / InChI

Molecular Formula C26H24O6
Molecular Weight 432.4652
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 Fri Dec 15 16:41:22 GMT 2023
Edited
by admin
on Fri Dec 15 16:41:22 GMT 2023
Record UNII
177275099B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIMETHYLOLETHYL TRIBENZOATE
Systematic Name English
1,3-PROPANEDIOL, 2-((BENZOYLOXY)METHYL)-2-METHYL-, DIBENZOATE
Systematic Name English
2-(HYDROXYMETHYL)-2-METHYL-1,3- PROPANEDIOL TRIBENZOATE
Systematic Name English
BENZOYLOXY)METHYL)-2-METHYLDIBENZOATE-1,3-PROPANEDIOL, 2-((
Common Name English
NSC-166505
Code English
2-((BENZOYLOXY)METHYL)-2-METHYL-1,3-PROPANEDIOL DIBENZOATE
Systematic Name English
2-(HYDROXYMETHYL)-2-METHYL-1,3-PROPANEDIOL TRIBENZOATE
Systematic Name English
TRIMETHYLOLETHANE TRIBENZOATE
Systematic Name English
1,3-PROPANEDIOL, 2-((BENZOYLOXY)METHYL)-2-METHYL-, 1,3- DIBENZOATE
Common Name English
1,3-PROPANEDIOL, 2-(HYDROXYMETHYL)-2-METHYL-, TRIBENZOATE
Systematic Name English
2-((BENZOYLOXY)METHYL)-2-METHYLDIBENZOATE-1,3-PROPANEDIOL
Common Name English
2-((BENZOYLOXY)METHYL)-2-METHYLPROPANE-1,3-DIYL DIBENZOATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
224-080-3
Created by admin on Fri Dec 15 16:41:22 GMT 2023 , Edited by admin on Fri Dec 15 16:41:22 GMT 2023
PRIMARY
CAS
4196-87-6
Created by admin on Fri Dec 15 16:41:22 GMT 2023 , Edited by admin on Fri Dec 15 16:41:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID1024590
Created by admin on Fri Dec 15 16:41:22 GMT 2023 , Edited by admin on Fri Dec 15 16:41:22 GMT 2023
PRIMARY
NSC
166505
Created by admin on Fri Dec 15 16:41:22 GMT 2023 , Edited by admin on Fri Dec 15 16:41:22 GMT 2023
PRIMARY
FDA UNII
177275099B
Created by admin on Fri Dec 15 16:41:22 GMT 2023 , Edited by admin on Fri Dec 15 16:41:22 GMT 2023
PRIMARY
PUBCHEM
20168
Created by admin on Fri Dec 15 16:41:22 GMT 2023 , Edited by admin on Fri Dec 15 16:41:22 GMT 2023
PRIMARY