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Details

Stereochemistry RACEMIC
Molecular Formula C20H29NO4S
Molecular Weight 379.514
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 8-isocyano-2,2-dimethyl-8-[(4-methylphenyl)sulfonyl]octanoate

SMILES

CCOC(=O)C(C)(C)CCCCCC([N+]#[C-])S(=O)(=O)C1=CC=C(C)C=C1

InChI

InChIKey=SMEKVLIENUHGPZ-UHFFFAOYSA-N
InChI=1S/C20H29NO4S/c1-6-25-19(22)20(3,4)15-9-7-8-10-18(21-5)26(23,24)17-13-11-16(2)12-14-17/h11-14,18H,6-10,15H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C20H29NO4S
Molecular Weight 379.514
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 Wed Apr 02 19:28:31 GMT 2025
Edited
by admin
on Wed Apr 02 19:28:31 GMT 2025
Record UNII
5YA76Z9CY8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 8-isocyano-2,2-dimethyl-8-[(4-methylphenyl)sulfonyl]octanoate
Systematic Name English
Ethyl 8-isocyano-2,2-dimethyl-8-(p-tosyl)octanoate
Preferred Name English
Octanoic acid, 8-isocyano-2,2-dimethyl-8-[(4-methylphenyl)sulfonyl]-, ethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
21069431
Created by admin on Wed Apr 02 19:28:31 GMT 2025 , Edited by admin on Wed Apr 02 19:28:31 GMT 2025
PRIMARY
FDA UNII
5YA76Z9CY8
Created by admin on Wed Apr 02 19:28:31 GMT 2025 , Edited by admin on Wed Apr 02 19:28:31 GMT 2025
PRIMARY
CAS
738607-02-8
Created by admin on Wed Apr 02 19:28:31 GMT 2025 , Edited by admin on Wed Apr 02 19:28:31 GMT 2025
PRIMARY