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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H19NO7S
Molecular Weight 393.411
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0
Stereo Comments R isomer

SHOW SMILES / InChI
Structure of Ethyl (αR)-α-[[(4-nitrophenyl)sulfonyl]oxy]benzenebutanoate

SMILES

CCOC(=O)[C@@H](CCC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O

InChI

InChIKey=GKCPPAWGVBGMSM-QGZVFWFLSA-N
InChI=1S/C18H19NO7S/c1-2-25-18(20)17(13-8-14-6-4-3-5-7-14)26-27(23,24)16-11-9-15(10-12-16)19(21)22/h3-7,9-12,17H,2,8,13H2,1H3/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H19NO7S
Molecular Weight 393.411
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:48:44 GMT 2023
Edited
by admin
on Sat Dec 16 19:48:44 GMT 2023
Record UNII
HCF3DGP8BC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl (αR)-α-[[(4-nitrophenyl)sulfonyl]oxy]benzenebutanoate
Systematic Name English
Benzenebutanoic acid, α-[[(4-nitrophenyl)sulfonyl]oxy]-, ethyl ester, (R)-
Systematic Name English
Code System Code Type Description
CAS
109010-59-5
Created by admin on Sat Dec 16 19:48:44 GMT 2023 , Edited by admin on Sat Dec 16 19:48:44 GMT 2023
PRIMARY
FDA UNII
HCF3DGP8BC
Created by admin on Sat Dec 16 19:48:44 GMT 2023 , Edited by admin on Sat Dec 16 19:48:44 GMT 2023
PRIMARY
PUBCHEM
11280833
Created by admin on Sat Dec 16 19:48:44 GMT 2023 , Edited by admin on Sat Dec 16 19:48:44 GMT 2023
PRIMARY
CAS
108960-89-0
Created by admin on Sat Dec 16 19:48:44 GMT 2023 , Edited by admin on Sat Dec 16 19:48:44 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY