CALCIUM BENZYLPHTHALATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C15H11O4.Ca
Molecular Weight	550.569
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].[O-]C(=O)C1=C(C=CC=C1)C(=O)OCC2=CC=CC=C2.[O-]C(=O)C3=C(C=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChIKey=IJQRJDMNTRRHKB-UHFFFAOYSA-L

InChI=1S/2C15H12O4.Ca/c2*16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11;/h2*1-9H,10H2,(H,16,17);/q;;+2/p-2

HIDE SMILES / InChI

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

Molecular Formula	C15H11O4
Molecular Weight	255.2454
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 `Fri Dec 15 15:10:22 GMT 2023` Edited by `admin` on `Fri Dec 15 15:10:22 GMT 2023`
Record UNII	6TD60L99BW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM BENZYLPHTHALATE

Systematic Name

English

MONOBENZYL PHTHALATE CALCIUM SALT

Common Name

English

1,2-BENZENEDICARBOXYLIC ACID, MONO(PHENYLMETHYL) ESTER, CALCIUM SALT

Systematic Name

English

CALCIUM DIBENZYL DIPHTHALATE

Systematic Name

English

1,2-BENZENEDICARBOXYLIC ACID, 1-(PHENYLMETHYL) ESTER, CALCIUM SALT (2:1)

Systematic Name

English

CALCIUM MONOBENZYL PHTHALATE

Systematic Name

English

PHTHALIC ACID, MONOBENZYL ESTER, CALCIUM SALT

Systematic Name

English

Code System Code Type Description

CAS

23239-68-1

Created by admin on Fri Dec 15 15:10:22 GMT 2023 , Edited by admin on Fri Dec 15 15:10:22 GMT 2023

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PUBCHEM

57376027

Created by admin on Fri Dec 15 15:10:22 GMT 2023 , Edited by admin on Fri Dec 15 15:10:22 GMT 2023

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ECHA (EC/EINECS)

245-515-3

Created by admin on Fri Dec 15 15:10:22 GMT 2023 , Edited by admin on Fri Dec 15 15:10:22 GMT 2023

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FDA UNII

6TD60L99BW

Created by admin on Fri Dec 15 15:10:22 GMT 2023 , Edited by admin on Fri Dec 15 15:10:22 GMT 2023

PRIMARY