U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

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