6-[[2,6-bis(chloranyl)phenyl]methylazaniumyl]hexanoate

Systemtic Name: 6-[[2,6-bis(chloranyl)phenyl]methylazaniumyl]hexanoate Openeye Name: 6-[(2,6-dichlorophenyl)methylammonio]hexanoate CAS Name: 6-[(2,6-dichlorophenyl)methylammonio]hexanoate IUPAC Name: 6-[(2,6-dichlorophenyl)methylazaniumyl]hexanoate Traditional Name: 6-[(2,6-dichlorobenzyl)ammonio]hexanoate Formula: C13H17Cl2NO2 MolecularWeight: 290.18558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C[NH2+]CCCCCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C[NH2+]CCCCCC(=O)[O-])Cl

InChI

InChI=1S/C13H17Cl2NO2/c14-11-5-4-6-12(15)10(11)9-16-8-3-1-2-7-13(17)18/h4-6,16H,1-3,7-9H2,(H,17,18)