CHLOROATRANORIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H17ClO8
Molecular Weight	408.786
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C1=C(O)C(C)=C(OC(=O)C2=C(O)C(C=O)=C(O)C(Cl)=C2C)C=C1C

InChI

InChIKey=ABZLZZCDSLOCNF-UHFFFAOYSA-N

InChI=1S/C19H17ClO8/c1-7-5-11(8(2)15(22)12(7)18(25)27-4)28-19(26)13-9(3)14(20)17(24)10(6-21)16(13)23/h5-6,22-24H,1-4H3

HIDE SMILES / InChI

Molecular Formula	C19H17ClO8
Molecular Weight	408.786
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 `Fri Dec 15 18:29:30 GMT 2023` Edited by `admin` on `Fri Dec 15 18:29:30 GMT 2023`
Record UNII	433PEB1G7C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHLOROATRANORIN

Common Name

English

5-CHLOROATRANORIN

Common Name

English

ISOPHTHALALDEHYDIC ACID, 5-CHLORO-2,4-DIHYDROXY-6-METHYL-, 4-ESTER WITH METHYL 3,6-DIMETHYL-.BETA.-RESORCYLATE

Systematic Name

English

CHLORATRANORIN

Common Name

English

BENZOIC ACID, 3-CHLORO-5-FORMYL-4,6-DIHYDROXY-2-METHYL-, 3-HYDROXY-4-(METHOXYCARBONYL)-2,5-DIMETHYLPHENYL ESTER

Systematic Name

English

.BETA.-RESORCYLIC ACID, 3,6-DIMETHYL-, METHYL ESTER, 4-(5-CHLORO-2,4-DIHYDROXY-6-METHYLISOPHTHALALDEHYDATE)

Common Name

English

Code System Code Type Description

CAS

479-16-3

Created by admin on Fri Dec 15 18:29:30 GMT 2023 , Edited by admin on Fri Dec 15 18:29:30 GMT 2023

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PUBCHEM

68065

Created by admin on Fri Dec 15 18:29:30 GMT 2023 , Edited by admin on Fri Dec 15 18:29:30 GMT 2023

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FDA UNII

433PEB1G7C

Created by admin on Fri Dec 15 18:29:30 GMT 2023 , Edited by admin on Fri Dec 15 18:29:30 GMT 2023

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EPA CompTox

DTXSID50197318

Created by admin on Fri Dec 15 18:29:30 GMT 2023 , Edited by admin on Fri Dec 15 18:29:30 GMT 2023

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