2-ISOVALERYL-1,3-INDANDIONE SODIUM

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H13O3.Na
Molecular Weight	252.241
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-ISOVALERYL-1,3-INDANDIONE SODIUM

Structure Search

SMILES

[Na+].CC(C)CC(=O)[C-]1C(=O)C2=C(C=CC=C2)C1=O

InChI

InChIKey=JDEQRQRWTQHCFH-UHFFFAOYSA-N

InChI=1S/C14H13O3.Na/c1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17;/h3-6,8H,7H2,1-2H3;/q-1;+1

HIDE SMILES / InChI

Molecular Formula	C14H14O3
Molecular Weight	230.2592
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 09:48:19 UTC 2023` Edited by `admin` on `Sat Dec 16 09:48:19 UTC 2023`
Record UNII	XT2J2S8ULS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-ISOVALERYL-1,3-INDANDIONE SODIUM

Systematic Name

English

SODIUM;2-(3-METHYLBUTANOYL)INDEN-2-IDE-1,3-DIONE

Systematic Name

English

1H-INDENE-1,3(2H)-DIONE, 2-(3-METHYL-1-OXOBUTYL)-, ION(1-), SODIUM

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

67709

Created by admin on Sat Dec 16 09:48:19 UTC 2023 , Edited by admin on Sat Dec 16 09:48:19 UTC 2023

Code System Code Type Description

PUBCHEM

138394096

Created by admin on Sat Dec 16 09:48:19 UTC 2023 , Edited by admin on Sat Dec 16 09:48:19 UTC 2023

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EPA CompTox

DTXSID7058416

Created by admin on Sat Dec 16 09:48:19 UTC 2023 , Edited by admin on Sat Dec 16 09:48:19 UTC 2023

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CAS

53404-57-2

Created by admin on Sat Dec 16 09:48:19 UTC 2023 , Edited by admin on Sat Dec 16 09:48:19 UTC 2023

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FDA UNII

XT2J2S8ULS

Created by admin on Sat Dec 16 09:48:19 UTC 2023 , Edited by admin on Sat Dec 16 09:48:19 UTC 2023

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