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Details

Stereochemistry RACEMIC
Molecular Formula C17H21NO
Molecular Weight 255.3547
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SN-2

SMILES

[H][C@@]12ON=C(C3=C(C)C=C(C)C=C3C)[C@]1([H])[C@H]4CC[C@@H]2C4

InChI

InChIKey=WKLZNTYMDOPBSE-YXPYIKCWSA-N
InChI=1S/C17H21NO/c1-9-6-10(2)14(11(3)7-9)16-15-12-4-5-13(8-12)17(15)19-18-16/h6-7,12-13,15,17H,4-5,8H2,1-3H3/t12-,13+,15-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H21NO
Molecular Weight 255.3547
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:23:16 GMT 2023
Edited
by admin
on Sat Dec 16 18:23:16 GMT 2023
Record UNII
R4LCV6XQR7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SN-2
Code English
4,7-METHANO-1,2-BENZISOXAZOLE, 3A,4,5,6,7,7A-HEXAHYDRO-3-(2,4,6-TRIMETHYLPHENYL)-
Systematic Name English
3A,4,5,6,7,7A-HEXAHYDRO-3-(2,4,6-TRIMETHYLPHENYL)-4,7-METHANO-1,2-BENZISOXAZOLE
Systematic Name English
3-MESITYL-3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANOBENZO(D)ISOXAZOLE
Systematic Name English
Code System Code Type Description
PUBCHEM
1202608
Created by admin on Sat Dec 16 18:23:16 GMT 2023 , Edited by admin on Sat Dec 16 18:23:16 GMT 2023
PRIMARY
WIKIPEDIA
SN-2
Created by admin on Sat Dec 16 18:23:16 GMT 2023 , Edited by admin on Sat Dec 16 18:23:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID501336631
Created by admin on Sat Dec 16 18:23:16 GMT 2023 , Edited by admin on Sat Dec 16 18:23:16 GMT 2023
PRIMARY
CAS
823218-99-1
Created by admin on Sat Dec 16 18:23:16 GMT 2023 , Edited by admin on Sat Dec 16 18:23:16 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
73237-21-5
Created by admin on Sat Dec 16 18:23:16 GMT 2023 , Edited by admin on Sat Dec 16 18:23:16 GMT 2023
PRIMARY
FDA UNII
R4LCV6XQR7
Created by admin on Sat Dec 16 18:23:16 GMT 2023 , Edited by admin on Sat Dec 16 18:23:16 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY