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Details

Stereochemistry ACHIRAL
Molecular Formula C29H32O4
Molecular Weight 444.562
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1?-(2-Methyl-1,4-phenylene) bis(4-butylbenzoate)

SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(OC(=O)C3=CC=C(CCCC)C=C3)C(C)=C2

InChI

InChIKey=NYWMWXDEVFKTJK-UHFFFAOYSA-N
InChI=1S/C29H32O4/c1-4-6-8-22-10-14-24(15-11-22)28(30)32-26-18-19-27(21(3)20-26)33-29(31)25-16-12-23(13-17-25)9-7-5-2/h10-20H,4-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C29H32O4
Molecular Weight 444.562
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 Tue Apr 01 19:17:20 GMT 2025
Edited
by admin
on Tue Apr 01 19:17:20 GMT 2025
Record UNII
L9D4J43NF3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1?-(2-Methyl-1,4-phenylene) bis(4-butylbenzoate)
Systematic Name English
Benzoic acid, 4-butyl-, 2-methyl-1,4-phenylene ester
Preferred Name English
Benzoic acid, 4-butyl-, 1,1?-(2-methyl-1,4-phenylene) ester
Systematic Name English
Code System Code Type Description
CAS
64835-62-7
Created by admin on Tue Apr 01 19:17:20 GMT 2025 , Edited by admin on Tue Apr 01 19:17:20 GMT 2025
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PUBCHEM
103037
Created by admin on Tue Apr 01 19:17:20 GMT 2025 , Edited by admin on Tue Apr 01 19:17:20 GMT 2025
PRIMARY
ECHA (EC/EINECS)
265-247-0
Created by admin on Tue Apr 01 19:17:20 GMT 2025 , Edited by admin on Tue Apr 01 19:17:20 GMT 2025
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FDA UNII
L9D4J43NF3
Created by admin on Tue Apr 01 19:17:20 GMT 2025 , Edited by admin on Tue Apr 01 19:17:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID3070129
Created by admin on Tue Apr 01 19:17:20 GMT 2025 , Edited by admin on Tue Apr 01 19:17:20 GMT 2025
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