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Details

Stereochemistry ACHIRAL
Molecular Formula C20H21NO3S
Molecular Weight 355.451
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-(5-(BENZENESULFONYL)-1-ETHYL-3,3-DIMETHYLINDOL-2-YLIDENE)ACETALDEHYDE

SMILES

CCN1C(=CC=O)C(C)(C)C2=CC(=CC=C12)S(=O)(=O)C3=CC=CC=C3

InChI

InChIKey=LJIRAJMFCLSDGJ-UHFFFAOYSA-N
InChI=1S/C20H21NO3S/c1-4-21-18-11-10-16(25(23,24)15-8-6-5-7-9-15)14-17(18)20(2,3)19(21)12-13-22/h5-14H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C20H21NO3S
Molecular Weight 355.451
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:44:30 GMT 2023
Edited
by admin
on Sat Dec 16 12:44:30 GMT 2023
Record UNII
697F7S9JD5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(5-(BENZENESULFONYL)-1-ETHYL-3,3-DIMETHYLINDOL-2-YLIDENE)ACETALDEHYDE
Systematic Name English
1-ETHYL-2-(FORMYLMETHYLENE)-3,3-DIMETHYL-5-(PHENYLSULFONYL)INDOLENINE
Systematic Name English
ACETALDEHYDE, (1-ETHYL-1,3-DIHYDRO-3,3-DIMETHYL-5-(PHENYLSULFONYL)-2H-INDOL-2-YLIDENE)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID9069005
Created by admin on Sat Dec 16 12:44:30 GMT 2023 , Edited by admin on Sat Dec 16 12:44:30 GMT 2023
PRIMARY
CAS
55203-66-2
Created by admin on Sat Dec 16 12:44:30 GMT 2023 , Edited by admin on Sat Dec 16 12:44:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
259-531-3
Created by admin on Sat Dec 16 12:44:30 GMT 2023 , Edited by admin on Sat Dec 16 12:44:30 GMT 2023
PRIMARY
PUBCHEM
108320
Created by admin on Sat Dec 16 12:44:30 GMT 2023 , Edited by admin on Sat Dec 16 12:44:30 GMT 2023
PRIMARY
FDA UNII
697F7S9JD5
Created by admin on Sat Dec 16 12:44:30 GMT 2023 , Edited by admin on Sat Dec 16 12:44:30 GMT 2023
PRIMARY