azanylidyneazanium; octyl sulfate; N-phenylaniline

Systemtic Name: azanylidyneazanium; octyl sulfate; N-phenylaniline Openeye Name: nitridoammonium; octyl sulfate; N-phenylaniline CAS Name: nitriloammonium; octyl sulfate; N-phenylaniline IUPAC Name: azanylidyneazanium; octyl sulfate; N-phenylaniline Traditional Name: diphenylamine; nitriloammonium; octyl sulfate Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOS(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=CC=C2.[NH+]#N

Isomeric SMILES

CCCCCCCCOS(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=CC=C2.[NH+]#N

InChI

InChI=1S/C12H11N.C8H18O4S.N2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4-5-6-7-8-12-13(9,10)11;1-2/h1-10,13H;2-8H2,1H3,(H,9,10,11);