Trigallic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H14O13
Molecular Weight	474.3281
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)=C(O)C(O)=C1

InChI

InChIKey=QUXNYZHQBWMPNX-UHFFFAOYSA-N

InChI=1S/C21H14O13/c22-10-2-8(3-11(23)16(10)26)20(31)34-15-6-9(4-13(25)18(15)28)21(32)33-14-5-7(19(29)30)1-12(24)17(14)27/h1-6,22-28H,(H,29,30)

HIDE SMILES / InChI

Molecular Formula	C21H14O13
Molecular Weight	474.3281
Charge	0
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 07:12:20 GMT 2025` Edited by `admin` on `Wed Apr 02 07:12:20 GMT 2025`
Record UNII	6HV67CW76G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Gallic acid, 3-ester with gallic acid, 3-gallate

Preferred Name

English

Trigallic acid

Common Name

English

Benzoic acid, 3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]-, 5-carboxy-2,3-dihydroxyphenyl ester

Systematic Name

English

3-(3,4-BIS(OXIDANYL)-5-(3,4,5-TRIS(OXIDANYL)PHENYL)CARBONYLOXY-PHENYL)CARBONYLOXY-4,5-BIS(OXIDANYL)BENZOIC ACID

Systematic Name

English

Gallic acid, 3-gallate, 3-gallate

Common Name

English

m-Trigallic acid

Common Name

English

Code System Code Type Description

PUBCHEM

90470472

Created by admin on Wed Apr 02 07:12:20 GMT 2025 , Edited by admin on Wed Apr 02 07:12:20 GMT 2025

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CAS

2131-66-0

Created by admin on Wed Apr 02 07:12:20 GMT 2025 , Edited by admin on Wed Apr 02 07:12:20 GMT 2025

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FDA UNII

6HV67CW76G

Created by admin on Wed Apr 02 07:12:20 GMT 2025 , Edited by admin on Wed Apr 02 07:12:20 GMT 2025

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EPA CompTox

DTXSID501317275

Created by admin on Wed Apr 02 07:12:20 GMT 2025 , Edited by admin on Wed Apr 02 07:12:20 GMT 2025

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