DISUFENTON

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H15NO7S2
Molecular Weight	337.369
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0
Stereo Comments	MM2 minimum energy of Z and E are 288.5886 and 451.3651 kcal/mol respectively

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=OVTCHWSLKGENKP-GHXNOFRVSA-N

InChI=1S/C11H15NO7S2/c1-11(2,3)12(13)7-8-4-5-9(20(14,15)16)6-10(8)21(17,18)19/h4-7H,1-3H3,(H,14,15,16)(H,17,18,19)/b12-7-

HIDE SMILES / InChI

Molecular Formula	C11H15NO7S2
Molecular Weight	337.369
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 `Fri Dec 15 15:42:03 UTC 2023` Edited by `admin` on `Fri Dec 15 15:42:03 UTC 2023`
Record UNII	797K01YF1M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DISUFENTON

Common Name

English

4-TERT-BUTYLIMINOMETHYL)BENZENE-,3-DISULPHONATE N-OXIDE

Common Name

English

2,4-DISULFONYL-.ALPHA.-PHENYL-TERT-BUTYLNITRONE

Common Name

English

Disufenton [WHO-DD]

Common Name

English

1,3-BENZENEDISULFONIC ACID, 4-(((1,1-DIMETHYLETHYL)OXIDOIMINO)METHYL)-

Common Name

English

4-TERT-BUTYLIMINOMETHYL)BENZENE-,3-DISULFONATE N-OXIDE

Common Name

English

4-(((1,1-DIMETHYLETHYL)OXIDOIMINO)METHYL)-1,3-BENZENEDISULFONIC ACID

Common Name

English

2,4-disulfonyl PBN

Common Name

English

DISUFENTON [MI]

Common Name

English

4-(((1,1-DIMETHYLETHYL)IMINO)METHYL)BENZENE-1,3-DISULFONATE N-OXIDE

Common Name

English

4-(((1,1-DIMETHYLETHYL)IMINO)METHYL)BENZENE-1,3-DISULPHONATE N-OXIDE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1509