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Details

Stereochemistry ACHIRAL
Molecular Formula C22H26O4
Molecular Weight 354.4394
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-PROPYLPHENYL 4-HEXANOYLOXYBENZOATE

SMILES

CCCCCC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=C(CCC)C=C2

InChI

InChIKey=KGYHDKQBNLIFKF-UHFFFAOYSA-N
InChI=1S/C22H26O4/c1-3-5-6-8-21(23)25-19-15-11-18(12-16-19)22(24)26-20-13-9-17(7-4-2)10-14-20/h9-16H,3-8H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4-PROPYLPHENYL 4-HEXANOYLOXYBENZOATE
Common Name English
4-(HEXANOYLOXY)BENZOIC ACID, 4-PROPYLPHENYL ESTER
Common Name English
BENZOIC ACID, 4-((1-OXOHEXYL)OXY)-, 4-PROPYLPHENYL ESTER
Systematic Name English
4-PROPYLPHENYL 4-((1-OXOHEXYL)OXY)BENZOATE
Systematic Name English
Code System Code Type Description
CAS
52811-80-0
Created by admin on Sat Dec 16 18:30:18 GMT 2023 , Edited by admin on Sat Dec 16 18:30:18 GMT 2023
PRIMARY
PUBCHEM
104329
Created by admin on Sat Dec 16 18:30:18 GMT 2023 , Edited by admin on Sat Dec 16 18:30:18 GMT 2023
PRIMARY
FDA UNII
64ST6777BX
Created by admin on Sat Dec 16 18:30:18 GMT 2023 , Edited by admin on Sat Dec 16 18:30:18 GMT 2023
PRIMARY
ECHA (EC/EINECS)
258-198-1
Created by admin on Sat Dec 16 18:30:18 GMT 2023 , Edited by admin on Sat Dec 16 18:30:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID1068809
Created by admin on Sat Dec 16 18:30:18 GMT 2023 , Edited by admin on Sat Dec 16 18:30:18 GMT 2023
PRIMARY
NIH
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