2,4-bis(chloranyl)-6-[(pentylazaniumyl)methyl]phenolate

Systemtic Name: 2,4-bis(chloranyl)-6-[(pentylazaniumyl)methyl]phenolate Openeye Name: 2,4-dichloro-6-[(pentylammonio)methyl]phenolate CAS Name: 2,4-dichloro-6-[(pentylammonio)methyl]phenolate IUPAC Name: 2,4-dichloro-6-[(pentylazaniumyl)methyl]phenolate Traditional Name: 2-[(amylammonio)methyl]-4,6-dichloro-phenolate Formula: C12H17Cl2NO MolecularWeight: 262.17548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH2+]CC1=CC(=CC(=C1[O-])Cl)Cl

Isomeric SMILES

CCCCC[NH2+]CC1=CC(=CC(=C1[O-])Cl)Cl

InChI

InChI=1S/C12H17Cl2NO/c1-2-3-4-5-15-8-9-6-10(13)7-11(14)12(9)16/h6-7,15-16H,2-5,8H2,1H3