2-ethyl-N-[(2-ethylphenyl)-phosphonato-methyl]hexan-1-amine

Systemtic Name: 2-ethyl-N-[(2-ethylphenyl)-phosphonato-methyl]hexan-1-amine Openeye Name: 2-ethyl-N-[(2-ethylphenyl)-phosphonato-methyl]hexan-1-amine CAS Name: 2-ethyl-N-[(2-ethylphenyl)-phosphonatomethyl]-1-hexanamine IUPAC Name: 2-ethyl-N-[(2-ethylphenyl)-phosphonatomethyl]hexan-1-amine Traditional Name: 2-ethylhexyl-[(2-ethylphenyl)-phosphonato-methyl]amine Formula: C17H28NO3P-2 MolecularWeight: 325.382881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(C1=CC=CC=C1CC)P(=O)([O-])[O-]

Isomeric SMILES

CCCCC(CC)CNC(C1=CC=CC=C1CC)P(=O)([O-])[O-]

InChI

InChI=1S/C17H30NO3P/c1-4-7-10-14(5-2)13-18-17(22(19,20)21)16-12-9-8-11-15(16)6-3/h8-9,11-12,14,17-18H,4-7,10,13H2,1-3H3,(H2,19,20,21)/p-2