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Details

Stereochemistry ACHIRAL
Molecular Formula C22H26O6S
Molecular Weight 418.503
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dibutyl 4,4′-sulfonyldibenzoate

SMILES

CCCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC

InChI

InChIKey=DMHQQKCWHVVMKL-UHFFFAOYSA-N
InChI=1S/C22H26O6S/c1-3-5-15-27-21(23)17-7-11-19(12-8-17)29(25,26)20-13-9-18(10-14-20)22(24)28-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C22H26O6S
Molecular Weight 418.503
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 18:15:49 GMT 2023
Edited
by admin
on Sat Dec 16 18:15:49 GMT 2023
Record UNII
ENZ6J5NTV5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Dibutyl 4,4′-sulfonyldibenzoate
Systematic Name English
NSC-404346
Code English
Benzoic acid, 4,4′-sulfonylbis-, dibutyl ester
Common Name English
1,1′-Dibutyl 4,4′-sulfonylbis[benzoate]
Systematic Name English
BENZOIC ACID, 4,4'-SULFONYLBIS-, 1,1'-DIBUTYL ESTER
Common Name English
4,4-Sulfonylbis(benzoic acid), dibutyl ester
Systematic Name English
Code System Code Type Description
NSC
404346
Created by admin on Sat Dec 16 18:15:49 GMT 2023 , Edited by admin on Sat Dec 16 18:15:49 GMT 2023
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CAS
3971-35-5
Created by admin on Sat Dec 16 18:15:49 GMT 2023 , Edited by admin on Sat Dec 16 18:15:49 GMT 2023
PRIMARY
PUBCHEM
77592
Created by admin on Sat Dec 16 18:15:49 GMT 2023 , Edited by admin on Sat Dec 16 18:15:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID30883924
Created by admin on Sat Dec 16 18:15:49 GMT 2023 , Edited by admin on Sat Dec 16 18:15:49 GMT 2023
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FDA UNII
ENZ6J5NTV5
Created by admin on Sat Dec 16 18:15:49 GMT 2023 , Edited by admin on Sat Dec 16 18:15:49 GMT 2023
PRIMARY