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Details

Stereochemistry ACHIRAL
Molecular Formula C18H24O3S
Molecular Weight 320.446
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIISOBUTYLNAPHTHALENE-2-SULFONIC ACID

SMILES

CC(C)CC1=C(C(CC(C)C)=C2C=CC=CC2=C1)S(O)(=O)=O

InChI

InChIKey=UTDRFZYLWMKWGN-UHFFFAOYSA-N
InChI=1S/C18H24O3S/c1-12(2)9-15-11-14-7-5-6-8-16(14)17(10-13(3)4)18(15)22(19,20)21/h5-8,11-13H,9-10H2,1-4H3,(H,19,20,21)

HIDE SMILES / InChI

Molecular Formula C18H24O3S
Molecular Weight 320.446
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 18:00:47 GMT 2025
Edited
by admin
on Tue Apr 01 18:00:47 GMT 2025
Record UNII
6Z9PEP679S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-BIS(2-METHYLPROPYL)-2-NAPHTHALENESULFONIC ACID
Preferred Name English
DIISOBUTYLNAPHTHALENE-2-SULFONIC ACID
Systematic Name English
2-NAPHTHALENESULFONIC ACID, 1,3-BIS(2-METHYLPROPYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90241268
Created by admin on Tue Apr 01 18:00:47 GMT 2025 , Edited by admin on Tue Apr 01 18:00:47 GMT 2025
PRIMARY
CAS
958820-46-7
Created by admin on Tue Apr 01 18:00:47 GMT 2025 , Edited by admin on Tue Apr 01 18:00:47 GMT 2025
PRIMARY
ECHA (EC/EINECS)
304-245-7
Created by admin on Tue Apr 01 18:00:47 GMT 2025 , Edited by admin on Tue Apr 01 18:00:47 GMT 2025
PRIMARY
FDA UNII
6Z9PEP679S
Created by admin on Tue Apr 01 18:00:47 GMT 2025 , Edited by admin on Tue Apr 01 18:00:47 GMT 2025
PRIMARY
PUBCHEM
3024115
Created by admin on Tue Apr 01 18:00:47 GMT 2025 , Edited by admin on Tue Apr 01 18:00:47 GMT 2025
PRIMARY
CAS
94247-75-3
Created by admin on Tue Apr 01 18:00:47 GMT 2025 , Edited by admin on Tue Apr 01 18:00:47 GMT 2025
ALTERNATIVE