3,3',3''-METHYLIDYNETRIS(6-HYDROXY-5-METHYLBENZOIC ACID)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H22O9
Molecular Weight	466.4368
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,3',3''-METHYLIDYNETRIS(6-HYDROXY-5-METHYLBENZOIC ACID)

Structure Search

SMILES

CC1=CC(=CC(C(O)=O)=C1O)C(C2=CC(C(O)=O)=C(O)C(C)=C2)C3=CC(C(O)=O)=C(O)C(C)=C3

InChI

InChIKey=PLBNGKSYVOQQDX-UHFFFAOYSA-N

InChI=1S/C25H22O9/c1-10-4-13(7-16(20(10)26)23(29)30)19(14-5-11(2)21(27)17(8-14)24(31)32)15-6-12(3)22(28)18(9-15)25(33)34/h4-9,19,26-28H,1-3H3,(H,29,30)(H,31,32)(H,33,34)

HIDE SMILES / InChI

Molecular Formula	C25H22O9
Molecular Weight	466.4368
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 `Sat Dec 16 12:46:17 GMT 2023` Edited by `admin` on `Sat Dec 16 12:46:17 GMT 2023`
Record UNII	GA0X1UTO10
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,3',3''-METHYLIDYNETRIS(6-HYDROXY-5-METHYLBENZOIC ACID)

Systematic Name

English

BENZOIC ACID, 3,3',3''-METHYLIDYNETRIS(6-HYDROXY-5-METHYL-

Common Name

English

NSC-623929

Code

English

Code System Code Type Description

EPA CompTox

DTXSID80156236