U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H7NO4S
Molecular Weight 201.2
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NITROMETHYL PHENYL SULFONE

SMILES

[O-][N+](=O)CS(=O)(=O)C1=CC=CC=C1

InChI

InChIKey=ADKLJTCVZHUANG-UHFFFAOYSA-N
InChI=1S/C7H7NO4S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2

HIDE SMILES / InChI

Molecular Formula C7H7NO4S
Molecular Weight 201.2
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:59:52 GMT 2023
Edited
by admin
on Sat Dec 16 11:59:52 GMT 2023
Record UNII
RC3ZYR3Y72
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NITROMETHYL PHENYL SULFONE
Common Name English
BENZENE, ((NITROMETHYL)SULPHONYL)-
Systematic Name English
NITROMETHYL PHENYL SULPHONE
Common Name English
BENZENE, ((NITROMETHYL)SULFONYL)-
Systematic Name English
PHENYLSULFONYLNITROMETHANE
Common Name English
((NITROMETHYL)SULPHONYL)BENZENE
Systematic Name English
((NITROMETHYL)SULFONYL)BENZENE
Systematic Name English
PHENYLSULPHONYLNITROMETHANE
Common Name English
Code System Code Type Description
CAS
21272-85-5
Created by admin on Sat Dec 16 11:59:52 GMT 2023 , Edited by admin on Sat Dec 16 11:59:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-308-5
Created by admin on Sat Dec 16 11:59:52 GMT 2023 , Edited by admin on Sat Dec 16 11:59:52 GMT 2023
PRIMARY
PUBCHEM
88854
Created by admin on Sat Dec 16 11:59:52 GMT 2023 , Edited by admin on Sat Dec 16 11:59:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID70175532
Created by admin on Sat Dec 16 11:59:52 GMT 2023 , Edited by admin on Sat Dec 16 11:59:52 GMT 2023
PRIMARY
FDA UNII
RC3ZYR3Y72
Created by admin on Sat Dec 16 11:59:52 GMT 2023 , Edited by admin on Sat Dec 16 11:59:52 GMT 2023
PRIMARY