AGENT ORANGE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H14Cl2O3.C12H13Cl3O3
Molecular Weight	588.733
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCOC(=O)COC1=CC=C(Cl)C=C1Cl.CCCCOC(=O)COC2=CC(Cl)=C(Cl)C=C2Cl

InChI

InChIKey=OLAOGBRYSBMLAO-UHFFFAOYSA-N

InChI=1S/C12H13Cl3O3.C12H14Cl2O3/c1-2-3-4-17-12(16)7-18-11-6-9(14)8(13)5-10(11)15;1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h5-6H,2-4,7H2,1H3;4-5,7H,2-3,6,8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C12H13Cl3O3
Molecular Weight	311.589
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C12H14Cl2O3
Molecular Weight	277.144
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 `Mon Mar 31 22:46:24 GMT 2025` Edited by `admin` on `Mon Mar 31 22:46:24 GMT 2025`
Record UNII	KQW750JQE5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACETIC ACID, (2,4-DICHLOROPHENOXY)-, BUTYL ESTER, MIXT. WITH BUTYL 2-(2,4,5-TRICHLOROPHENOXY)ACETATE (1:1)

Preferred Name

English

AGENT ORANGE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C541