2-[2,4-bis(chloranyl)phenoxy]ethanoic acid; octan-1-amine

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]ethanoic acid; octan-1-amine Openeye Name: 2-(2,4-dichlorophenoxy)acetic acid; octan-1-amine CAS Name: 2-(2,4-dichlorophenoxy)acetic acid; 1-octanamine IUPAC Name: 2-(2,4-dichlorophenoxy)acetic acid; octan-1-amine Traditional Name: 2-(2,4-dichlorophenoxy)acetic acid; octylamine Formula: C16H25Cl2NO3 MolecularWeight: 350.2806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O

Isomeric SMILES

CCCCCCCCN.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O

InChI

InChI=1S/C8H6Cl2O3.C8H19N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-2-3-4-5-6-7-8-9/h1-3H,4H2,(H,11,12);2-9H2,1H3