2-ethylhexan-1-olate; triphenyl-(N,N,N'-triphenylcarbamimidoyl)azanium

Systemtic Name: 2-ethylhexan-1-olate; triphenyl-(N,N,N'-triphenylcarbamimidoyl)azanium Openeye Name: 2-ethylhexan-1-olate; triphenyl-(N,N,N'-triphenylcarbamimidoyl)ammonium CAS Name: 2-ethyl-1-hexanolate; triphenyl-[(N-phenylanilino)-phenyliminomethyl]ammonium IUPAC Name: 2-ethylhexan-1-olate; triphenyl-(N,N,N'-triphenylcarbamimidoyl)azanium Traditional Name: 2-ethylhexan-1-olate; triphenyl-(N,N,N'-triphenylamidino)ammonium Formula: C45H47N3O MolecularWeight: 645.87418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[O-].C1=CC=C(C=C1)N=C(N(C2=CC=CC=C2)C3=CC=CC=C3)[N+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCCC(CC)C[O-].C1=CC=C(C=C1)N=C(N(C2=CC=CC=C2)C3=CC=CC=C3)[N+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H30N3.C8H17O/c1-7-19-31(20-8-1)38-37(39(32-21-9-2-10-22-32)33-23-11-3-12-24-33)40(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;1-3-5-6-8(4-2)7-9/h1-30H;8H,3-7H2,1-2H3/q+1;-1