N-[5-Nitro-1-(1-oxodecyl)-2,1-benzisothiazol-3(1H)-ylidene]decanamide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H41N3O4S
Molecular Weight	503.697
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of N-[5-Nitro-1-(1-oxodecyl)-2,1-benzisothiazol-3(1H)-ylidene]decanamide

Structure Search

SMILES

CCCCCCCCCC(=O)\N=C1/SN(C(=O)CCCCCCCCC)C2=C1C=C(C=C2)[N+]([O-])=O

InChI

InChIKey=UGPWNDXYFOJMPV-DQSJHHFOSA-N

InChI=1S/C27H41N3O4S/c1-3-5-7-9-11-13-15-17-25(31)28-27-23-21-22(30(33)34)19-20-24(23)29(35-27)26(32)18-16-14-12-10-8-6-4-2/h19-21H,3-18H2,1-2H3/b28-27-

HIDE SMILES / InChI

Molecular Formula	C27H41N3O4S
Molecular Weight	503.697
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 `Sat Dec 16 11:24:53 GMT 2023` Edited by `admin` on `Sat Dec 16 11:24:53 GMT 2023`
Record UNII	V99FXA76JV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-[5-Nitro-1-(1-oxodecyl)-2,1-benzisothiazol-3(1H)-ylidene]decanamide

Systematic Name

English

Decanamide, N-[5-nitro-1-(1-oxodecyl)-2,1-benzisothiazol-3(1H)-ylidene]-

Systematic Name

English

N-(1-decanoyl-5-nitro-2,1-benzothiazol-3-ylidene)decanamide

Systematic Name

English

Code System Code Type Description

FDA UNII

V99FXA76JV

Created by admin on Sat Dec 16 11:24:53 GMT 2023 , Edited by admin on Sat Dec 16 11:24:53 GMT 2023

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CAS

106532-70-1

Created by admin on Sat Dec 16 11:24:53 GMT 2023 , Edited by admin on Sat Dec 16 11:24:53 GMT 2023

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EPA CompTox

DTXSID701030637

Created by admin on Sat Dec 16 11:24:53 GMT 2023 , Edited by admin on Sat Dec 16 11:24:53 GMT 2023

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PUBCHEM

13683723

Created by admin on Sat Dec 16 11:24:53 GMT 2023 , Edited by admin on Sat Dec 16 11:24:53 GMT 2023

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