Tricarmonic acid aluminum salt

Details

Stereochemistry	ABSOLUTE
Molecular Formula	3C22H19O13.Al
Molecular Weight	1501.1169
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Tricarmonic acid aluminum salt

Structure Search

SMILES

[Al+3].CC1=C(C([O-])=O)C(O)=CC2=C1C(=O)C3=C(O)C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(O)C(O)=C3C2=O.CC5=C(C([O-])=O)C(O)=CC6=C5C(=O)C7=C(O)C([C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)=C(O)C(O)=C7C6=O.CC9=C(C([O-])=O)C(O)=CC%10=C9C(=O)C%11=C(O)C([C@@H]%12O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%12O)=C(O)C(O)=C%11C%10=O

InChI

InChIKey=WJOVCPOLRUPGKC-CUOMLKGQSA-K

InChI=1S/3C22H20O13.Al/c3*1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21;/h3*2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34);/q;;;+3/p-3/t3*7-,14-,19+,20-,21+;/m111./s1

HIDE SMILES / InChI

Molecular Formula	C22H19O13
Molecular Weight	491.3785
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Al
Molecular Weight	26.9815386
Charge	3
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 `Wed Apr 02 18:11:48 GMT 2025` Edited by `admin` on `Wed Apr 02 18:11:48 GMT 2025`
Record UNII	AQ8Y7GFM2W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Tricarmonic acid aluminum salt

Common Name

English

2-Anthracenecarboxylic acid, 7-?-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-, aluminum salt (3:1)

Preferred Name

English

3-ethyl-5-[3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systematic Name

English

Code System Code Type Description

FDA UNII

AQ8Y7GFM2W

Created by admin on Wed Apr 02 18:11:48 GMT 2025 , Edited by admin on Wed Apr 02 18:11:48 GMT 2025

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EPA CompTox

DTXSID30414090

Created by admin on Wed Apr 02 18:11:48 GMT 2025 , Edited by admin on Wed Apr 02 18:11:48 GMT 2025

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CAS

7061-55-4

Created by admin on Wed Apr 02 18:11:48 GMT 2025 , Edited by admin on Wed Apr 02 18:11:48 GMT 2025

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PUBCHEM

169490843

Created by admin on Wed Apr 02 18:11:48 GMT 2025 , Edited by admin on Wed Apr 02 18:11:48 GMT 2025

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