VALONE CALCIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C14H13O3.Ca
Molecular Weight	498.58
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].CC(C)CC(=O)[C-]1C(=O)C2=CC=CC=C2C1=O.CC(C)CC(=O)[C-]3C(=O)C4=CC=CC=C4C3=O

InChI

InChIKey=FUJGTABRLHWABI-UHFFFAOYSA-N

InChI=1S/2C14H13O3.Ca/c2*1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17;/h2*3-6,8H,7H2,1-2H3;/q2*-1;+2

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	Ca
Molecular Weight	40.078
Charge	2
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 `Mon Mar 31 22:24:05 GMT 2025` Edited by `admin` on `Mon Mar 31 22:24:05 GMT 2025`
Record UNII	2Q3705641I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VALONE CALCIUM

Common Name

English

ISOTRAC

Preferred Name

English

VALONE, CALCIUM SALT

Common Name

English

2-ISOVALERYL-1,3-INDANDIONE CALCIUM SALT

Common Name

English

CALCIUM 2-ISOVALERYL-1,3-INDANDIONE

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

67706

Created by admin on Mon Mar 31 22:24:05 GMT 2025 , Edited by admin on Mon Mar 31 22:24:05 GMT 2025

Code System Code Type Description

EPA CompTox

DTXSID7058337

Created by admin on Mon Mar 31 22:24:05 GMT 2025 , Edited by admin on Mon Mar 31 22:24:05 GMT 2025

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FDA UNII

2Q3705641I

Created by admin on Mon Mar 31 22:24:05 GMT 2025 , Edited by admin on Mon Mar 31 22:24:05 GMT 2025

PRIMARY

CAS

23710-76-1

Created by admin on Mon Mar 31 22:24:05 GMT 2025 , Edited by admin on Mon Mar 31 22:24:05 GMT 2025

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