3-[(4-dodecylphenyl)-methyl-amino]propanoic acid; nickel(2+)

Systemtic Name: 3-[(4-dodecylphenyl)-methyl-amino]propanoic acid; nickel(2+) Openeye Name: nickelous 3-(4-dodecyl-N-methyl-anilino)propanoic acid CAS Name: 3-(4-dodecyl-N-methylanilino)propanoic acid; nickel(2+) IUPAC Name: 3-(4-dodecyl-N-methylanilino)propanoic acid; nickel(2+) Traditional Name: nickelous 3-(4-lauryl-N-methyl-anilino)propionic acid Formula: C44H74N2NiO4+2 MolecularWeight: 753.76276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)N(C)CCC(=O)O.CCCCCCCCCCCCC1=CC=C(C=C1)N(C)CCC(=O)O.[Ni+2]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)N(C)CCC(=O)O.CCCCCCCCCCCCC1=CC=C(C=C1)N(C)CCC(=O)O.[Ni+2]

InChI

InChI=1S/2C22H37NO2.Ni/c2*1-3-4-5-6-7-8-9-10-11-12-13-20-14-16-21(17-15-20)23(2)19-18-22(24)25;/h2*14-17H,3-13,18-19H2,1-2H3,(H,24,25);/q;;+2