Picryl sulfone

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H4N6O14S
Molecular Weight	488.257
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Picryl sulfone

Structure Search

SMILES

[O-][N+](=O)C1=CC(=C(C(=C1)[N+]([O-])=O)S(=O)(=O)C2=C(C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=LBSKWFDEDNVDAU-UHFFFAOYSA-N

InChI=1S/C12H4N6O14S/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)33(31,32)12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H

HIDE SMILES / InChI

Molecular Formula	C12H4N6O14S
Molecular Weight	488.257
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 12:22:09 GMT 2023` Edited by `admin` on `Sat Dec 16 12:22:09 GMT 2023`
Record UNII	3QSN5TRN6Q
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Picryl sulfone

Common Name

English

Benzene, 1,1′-sulfonylbis[2,4,6-trinitro-

Systematic Name

English

1,1′-Sulfonylbis[2,4,6-trinitrobenzene]

Systematic Name

English

Code System Code Type Description

PUBCHEM

82740

Created by admin on Sat Dec 16 12:22:09 GMT 2023 , Edited by admin on Sat Dec 16 12:22:09 GMT 2023

PRIMARY

EPA CompTox

DTXSID6065131

Created by admin on Sat Dec 16 12:22:09 GMT 2023 , Edited by admin on Sat Dec 16 12:22:09 GMT 2023

PRIMARY

ECHA (EC/EINECS)

234-178-8

Created by admin on Sat Dec 16 12:22:09 GMT 2023 , Edited by admin on Sat Dec 16 12:22:09 GMT 2023

PRIMARY

CAS

10580-80-0

Created by admin on Sat Dec 16 12:22:09 GMT 2023 , Edited by admin on Sat Dec 16 12:22:09 GMT 2023

PRIMARY

FDA UNII

3QSN5TRN6Q

Created by admin on Sat Dec 16 12:22:09 GMT 2023 , Edited by admin on Sat Dec 16 12:22:09 GMT 2023

PRIMARY