4-O-DEMETHYLBARBATIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H18O7
Molecular Weight	346.3313
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(C(O)=O)C(O)=C(C)C(OC(=O)C2=C(C)C=C(O)C(C)=C2O)=C1

InChI

InChIKey=COUKTHZXLGYKPK-UHFFFAOYSA-N

InChI=1S/C18H18O7/c1-7-5-11(19)9(3)15(20)14(7)18(24)25-12-6-8(2)13(17(22)23)16(21)10(12)4/h5-6,19-21H,1-4H3,(H,22,23)

HIDE SMILES / InChI

Molecular Formula	C18H18O7
Molecular Weight	346.3313
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 `Tue Apr 01 17:41:23 GMT 2025` Edited by `admin` on `Tue Apr 01 17:41:23 GMT 2025`
Record UNII	X537335JTZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-O-DEMETHYL-BARBATIC ACID

Preferred Name

English

4-O-DEMETHYLBARBATIC ACID

Common Name

English

DEMETHYLBARBATIC ACID, 4-O-

Common Name

English

BENZOIC ACID, 2,4-DIHYDROXY-3,6-DIMETHYL-, 4-CARBOXY-3-HYDROXY-2,5-DIMETHYLPHENYL ESTER

Systematic Name

English

BARBATIC ACID, 4-O-DEMETHYL-

Common Name

English

.BETA.-RESORCYLIC ACID, 3,6-DIMETHYL-, 4-(3,6-DIMETHYL-.BETA.-RESORCYLATE)

Systematic Name

English

Code System Code Type Description

CAS

20372-89-8

Created by admin on Tue Apr 01 17:41:23 GMT 2025 , Edited by admin on Tue Apr 01 17:41:23 GMT 2025

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PUBCHEM

10450302

Created by admin on Tue Apr 01 17:41:23 GMT 2025 , Edited by admin on Tue Apr 01 17:41:23 GMT 2025

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FDA UNII

X537335JTZ

Created by admin on Tue Apr 01 17:41:23 GMT 2025 , Edited by admin on Tue Apr 01 17:41:23 GMT 2025

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