Calcium 2,2'-methylenebis(4-(1,1,3,3-tetramethylbutyl)phenolate)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H42O2.Ca
Molecular Weight	462.721
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Calcium 2,2'-methylenebis(4-(1,1,3,3-tetramethylbutyl)phenolate)

Structure Search

SMILES

[Ca++].CC(C)(C)CC(C)(C)C1=CC=C([O-])C(CC2=CC(=CC=C2[O-])C(C)(C)CC(C)(C)C)=C1

InChI

InChIKey=YXSZZYUCAWASKW-UHFFFAOYSA-L

InChI=1S/C29H44O2.Ca/c1-26(2,3)18-28(7,8)22-11-13-24(30)20(16-22)15-21-17-23(12-14-25(21)31)29(9,10)19-27(4,5)6;/h11-14,16-17,30-31H,15,18-19H2,1-10H3;/q;+2/p-2

HIDE SMILES / InChI

Molecular Formula	C29H42O2
Molecular Weight	422.6426
Charge	-2
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 `Sat Dec 16 12:28:42 GMT 2023` Edited by `admin` on `Sat Dec 16 12:28:42 GMT 2023`
Record UNII	B482ZQY9QB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Calcium 2,2'-methylenebis(4-(1,1,3,3-tetramethylbutyl)phenolate)

Systematic Name

English

Phenol, 2,2′-methylenebis[4-(1,1,3,3-tetramethylbutyl)-, calcium salt

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID2071605