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Details

Stereochemistry ACHIRAL
Molecular Formula C28H30O4
Molecular Weight 430.5354
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-PHENYLENE BIS(4-(1,1-DIMETHYLETHYL)BENZOATE)

SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC(OC(=O)C3=CC=C(C=C3)C(C)(C)C)=CC=C2

InChI

InChIKey=AFAZGSWKIZVRSR-UHFFFAOYSA-N
InChI=1S/C28H30O4/c1-27(2,3)21-14-10-19(11-15-21)25(29)31-23-8-7-9-24(18-23)32-26(30)20-12-16-22(17-13-20)28(4,5)6/h7-18H,1-6H3

HIDE SMILES / InChI

Molecular Formula C28H30O4
Molecular Weight 430.5354
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 Sat Dec 16 12:18:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:18:47 GMT 2023
Record UNII
UP79TVJ4CM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-PHENYLENE BIS(4-(1,1-DIMETHYLETHYL)BENZOATE)
Systematic Name English
BENZOIC ACID, 4-(1,1-DIMETHYLETHYL)-, 1,1'-(1,3-PHENYLENE) ESTER
Common Name English
BENZOIC ACID, 4-(1,1-DIMETHYLETHYL)-, 1,3-PHENYLENE ESTER
Common Name English
Code System Code Type Description
PUBCHEM
87325
Created by admin on Sat Dec 16 12:18:47 GMT 2023 , Edited by admin on Sat Dec 16 12:18:47 GMT 2023
PRIMARY
FDA UNII
UP79TVJ4CM
Created by admin on Sat Dec 16 12:18:47 GMT 2023 , Edited by admin on Sat Dec 16 12:18:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
241-788-8
Created by admin on Sat Dec 16 12:18:47 GMT 2023 , Edited by admin on Sat Dec 16 12:18:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID20170456
Created by admin on Sat Dec 16 12:18:47 GMT 2023 , Edited by admin on Sat Dec 16 12:18:47 GMT 2023
PRIMARY
CAS
17831-67-3
Created by admin on Sat Dec 16 12:18:47 GMT 2023 , Edited by admin on Sat Dec 16 12:18:47 GMT 2023
PRIMARY