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Details

Stereochemistry MIXED
Molecular Formula C18H28O3S
Molecular Weight 324.478
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOSAFROLE OCTYL SULFOXIDE

SMILES

CCCCCCCC[S+]([O-])C(C)CC1=CC2=C(OCO2)C=C1

InChI

InChIKey=ATTZFSUZZUNHBP-UHFFFAOYSA-N
InChI=1S/C18H28O3S/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17/h9-10,13,15H,3-8,11-12,14H2,1-2H3

HIDE SMILES / InChI
Molecular Formula C18H28O3S
Molecular Weight 324.478
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
139594
Patents

Patents

JP1019034A
1
JP1061467A
1
JP2000080056A
1
JP2000080166A
1
JP2000219672A
1
JP2000507091A
5
JP2001323126A
1
JP2001335467A
1
JP2002121457A
1
JP2002128729A
1
JP2002145852A
1
JP2002241363A
1
JP2002308845A
1
JP2002338688A
1
JP2002507591A
1
JP2002534086A
1
JP2002536407A
4
JP2002538252A
1
JP2002539198A
1
JP2003167344A
1
JP2003183377A
1
JP2003331644A
1
JP2003529546A
2
JP2004155821A
1
JP2004170806A
1
JP2004286712A
1
JP2004339512A
1
JP2004502646A
2
JP2004538479A
1
JP2005099105A
1
JP2006052396A
1
JP2006520388A
1
JP2007008922A
1
JP2007084454A
1
JP2007501189A
1
JP2007506696A
1
JP2007507430A
13
JP2007509142A
2
JP2007517783A
4
JP2007529451A
1
JP2007532665A
3
JP2008073983A
1
JP2008115122A
1
JP2008224514A
1
JP2008231039A
1
JP2008239572A
1
JP2009013367A
1
JP2009292757A
1
JP2009521548A
2
JP2009535159A
4
JP2009545666A
1
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:33:45 GMT 2023
Edited
by admin
on Sat Dec 16 08:33:45 GMT 2023
Record UNII
WOR3CS513R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOSAFROLE OCTYL SULFOXIDE
Systematic Name English
2-(1,3-BENZODIOXOL-5-YL)ETHYL OCTYL SULFOXIDE
Systematic Name English
1,2-METHOXYLENEDIOXY-4-(2-(OCTYLSULFINYL)PROPYL)-BENZENE [HSDB]
Common Name English
ISOSAFROLE N-OCTYLSULFOXIDE
Common Name English
SULPHOXIDE
Common Name English
1,2-(METHYLENEDIOXY)-4-(2-(OCTYLSULFINYL)PROPYL)BENZENE
Systematic Name English
PIPERONYL SULFOXIDE
Systematic Name English
BENZENE, 1,2-(METHYLENEDIOXY)-4-(2-(OCTYLSULFINYL)PROPYL)-
Systematic Name English
SULFOXYL
Common Name English
N-OCTYLSULFOXIDE OF ISOSAFROLE
Common Name English
1,3-BENZODIOXOLE, 5-(2-(OCTYLSULFINYL)PROPYL)-
Systematic Name English
SULFOXIDE, .ALPHA.-METHYL-3,4-(METHYLENEDIOXY)PHENETHYL OCTYL
Systematic Name English
NSC-8400
Code English
SULFOXIDE
MI  
Common Name English
5-(2-(OCTYLSULFINYL)PROPYL)-1,3-BENZODIOXOLE
Systematic Name English
ISOFROL-N-OCTYL SULFOXIDE
Common Name English
1-METHYL-2-(3,4-METHYLENEDIOXYPHENYL)ETHYL OCTYL SULFOXIDE
Systematic Name English
SULFOX-CIDE
Common Name English
SULFOXIDE [MI]
Common Name English
N-OCTYLISOSAFROLE SULFOXIDE
Common Name English
Code System Code Type Description
CHEBI
22063
Created by admin on Sat Dec 16 08:33:45 GMT 2023 , Edited by admin on Sat Dec 16 08:33:45 GMT 2023
PRIMARY
NSC
8400
Created by admin on Sat Dec 16 08:33:45 GMT 2023 , Edited by admin on Sat Dec 16 08:33:45 GMT 2023
PRIMARY
PUBCHEM
8442
Created by admin on Sat Dec 16 08:33:45 GMT 2023 , Edited by admin on Sat Dec 16 08:33:45 GMT 2023
PRIMARY
MERCK INDEX
m10367
Created by admin on Sat Dec 16 08:33:45 GMT 2023 , Edited by admin on Sat Dec 16 08:33:45 GMT 2023
PRIMARY Merck Index
ALANWOOD
sulfoxide
Created by admin on Sat Dec 16 08:33:45 GMT 2023 , Edited by admin on Sat Dec 16 08:33:45 GMT 2023
PRIMARY
CAS
120-62-7
Created by admin on Sat Dec 16 08:33:45 GMT 2023 , Edited by admin on Sat Dec 16 08:33:45 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-412-3
Created by admin on Sat Dec 16 08:33:45 GMT 2023 , Edited by admin on Sat Dec 16 08:33:45 GMT 2023
PRIMARY
HSDB
1746
Created by admin on Sat Dec 16 08:33:45 GMT 2023 , Edited by admin on Sat Dec 16 08:33:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID1021168
Created by admin on Sat Dec 16 08:33:45 GMT 2023 , Edited by admin on Sat Dec 16 08:33:45 GMT 2023
PRIMARY
FDA UNII
WOR3CS513R
Created by admin on Sat Dec 16 08:33:45 GMT 2023 , Edited by admin on Sat Dec 16 08:33:45 GMT 2023
PRIMARY
NIH
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