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Details

Stereochemistry ACHIRAL
Molecular Formula C18H32Cl2O2
Molecular Weight 351.351
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 12,13-DICHLORO-9-OCTADECENOIC ACID

SMILES

CCCCCC(Cl)C(Cl)C\C=C\CCCCCCCC(O)=O

InChI

InChIKey=FMSJJWAQHBYTEY-DHZHZOJOSA-N
InChI=1S/C18H32Cl2O2/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8+

HIDE SMILES / InChI

Molecular Formula C18H32Cl2O2
Molecular Weight 351.351
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:52:50 GMT 2025
Edited
by admin
on Tue Apr 01 16:52:50 GMT 2025
Record UNII
23T1ZS4082
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-OCTADECENOIC ACID, 12,13-DICHLORO-
Preferred Name English
12,13-DICHLORO-9-OCTADECENOIC ACID
Systematic Name English
Code System Code Type Description
CAS
85556-76-9
Created by admin on Tue Apr 01 16:52:50 GMT 2025 , Edited by admin on Tue Apr 01 16:52:50 GMT 2025
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FDA UNII
23T1ZS4082
Created by admin on Tue Apr 01 16:52:50 GMT 2025 , Edited by admin on Tue Apr 01 16:52:50 GMT 2025
PRIMARY
PUBCHEM
6440770
Created by admin on Tue Apr 01 16:52:50 GMT 2025 , Edited by admin on Tue Apr 01 16:52:50 GMT 2025
PRIMARY