4-[[2-methylpropyl(naphthalen-1-yl)amino]methoxy]benzenediazonium sulfate

Systemtic Name: 4-[[2-methylpropyl(naphthalen-1-yl)amino]methoxy]benzenediazonium sulfate Openeye Name: 4-[[isobutyl(1-naphthyl)amino]methoxy]benzenediazonium sulfate CAS Name: 4-[[2-methylpropyl(1-naphthalenyl)amino]methoxy]benzenediazonium sulfate IUPAC Name: 4-[[2-methylpropyl(naphthalen-1-yl)amino]methoxy]benzenediazonium sulfate Traditional Name: 4-[[isobutyl(1-naphthyl)amino]methoxy]benzenediazonium sulfate Formula: C42H44N6O6S MolecularWeight: 760.90036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(COC1=CC=C(C=C1)[N+]#N)C2=CC=CC3=CC=CC=C32.CC(C)CN(COC1=CC=C(C=C1)[N+]#N)C2=CC=CC3=CC=CC=C32.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(C)CN(COC1=CC=C(C=C1)[N+]#N)C2=CC=CC3=CC=CC=C32.CC(C)CN(COC1=CC=C(C=C1)[N+]#N)C2=CC=CC3=CC=CC=C32.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C21H22N3O.H2O4S/c2*1-16(2)14-24(15-25-19-12-10-18(23-22)11-13-19)21-9-5-7-17-6-3-4-8-20(17)21;1-5(2,3)4/h2*3-13,16H,14-15H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2