Decyl 2-nitrobenzoate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H25NO4
Molecular Weight	307.3847
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Decyl 2-nitrobenzoate

Structure Search

SMILES

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

InChI

InChIKey=SJJAUALFDHHSCH-UHFFFAOYSA-N

InChI=1S/C17H25NO4/c1-2-3-4-5-6-7-8-11-14-22-17(19)15-12-9-10-13-16(15)18(20)21/h9-10,12-13H,2-8,11,14H2,1H3

HIDE SMILES / InChI

Molecular Formula	C17H25NO4
Molecular Weight	307.3847
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 11:49:30 GMT 2023` Edited by `admin` on `Sat Dec 16 11:49:30 GMT 2023`
Record UNII	3D5HT67AM4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Decyl 2-nitrobenzoate

Systematic Name

English

Benzoic acid, 2-nitro-, decyl ester

Systematic Name

English

Benzoic acid, o-nitro-, decyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

3D5HT67AM4

Created by admin on Sat Dec 16 11:49:30 GMT 2023 , Edited by admin on Sat Dec 16 11:49:30 GMT 2023

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ECHA (EC/EINECS)

229-381-3

Created by admin on Sat Dec 16 11:49:30 GMT 2023 , Edited by admin on Sat Dec 16 11:49:30 GMT 2023

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CAS

6500-28-3

Created by admin on Sat Dec 16 11:49:30 GMT 2023 , Edited by admin on Sat Dec 16 11:49:30 GMT 2023

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EPA CompTox

DTXSID00215319

Created by admin on Sat Dec 16 11:49:30 GMT 2023 , Edited by admin on Sat Dec 16 11:49:30 GMT 2023

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PUBCHEM

80996

Created by admin on Sat Dec 16 11:49:30 GMT 2023 , Edited by admin on Sat Dec 16 11:49:30 GMT 2023

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