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Details

Stereochemistry RACEMIC
Molecular Formula C17H27ClO2S
Molecular Weight 330.913
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-CHLORO-5-(1,1-DIMETHYLETHYL)-1,1-DIHYDRO-.ALPHA.,.ALPHA.,1,3,3-PENTAMETHYL-3H-2,1-BENZOXATHIOLE-7-METHANOL

SMILES

CC(C)(C)C1=CC(=C2C(=C1)C(C)(C)OS2(C)Cl)C(C)(C)O

InChI

InChIKey=QOBZDWDTMCTWQQ-UHFFFAOYSA-N
InChI=1S/C17H27ClO2S/c1-15(2,3)11-9-12(16(4,5)19)14-13(10-11)17(6,7)20-21(14,8)18/h9-10,19H,1-8H3

HIDE SMILES / InChI

Molecular Formula C17H27ClO2S
Molecular Weight 330.913
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 Tue Apr 01 20:01:40 GMT 2025
Edited
by admin
on Tue Apr 01 20:01:40 GMT 2025
Record UNII
E1E3L7MN30
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-CHLORO-5-(1,1-DIMETHYLETHYL)-1,1-DIHYDRO-.ALPHA.,.ALPHA.,1,3,3-PENTAMETHYL-3H-2,1-BENZOXATHIOLE-7-METHANOL
Common Name English
NSC-299849
Preferred Name English
3H-2,1-BENZOXATHIOLE-7-METHANOL, 1-CHLORO-5-(1,1-DIMETHYLETHYL)-1,1-DIHYDRO-.ALPHA.,.ALPHA.,1,3,3-PENTAMETHYL-
Common Name English
Code System Code Type Description
FDA UNII
E1E3L7MN30
Created by admin on Tue Apr 01 20:01:40 GMT 2025 , Edited by admin on Tue Apr 01 20:01:40 GMT 2025
PRIMARY
CAS
65434-56-2
Created by admin on Tue Apr 01 20:01:40 GMT 2025 , Edited by admin on Tue Apr 01 20:01:40 GMT 2025
PRIMARY
NSC
299849
Created by admin on Tue Apr 01 20:01:40 GMT 2025 , Edited by admin on Tue Apr 01 20:01:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID50215763
Created by admin on Tue Apr 01 20:01:40 GMT 2025 , Edited by admin on Tue Apr 01 20:01:40 GMT 2025
PRIMARY
PUBCHEM
326930
Created by admin on Tue Apr 01 20:01:40 GMT 2025 , Edited by admin on Tue Apr 01 20:01:40 GMT 2025
PRIMARY