(2-phenylsulfanylethylamino)azanium sulfate

Systemtic Name: (2-phenylsulfanylethylamino)azanium sulfate Openeye Name: (2-phenylsulfanylethylamino)ammonium sulfate CAS Name: [2-(phenylthio)ethylamino]ammonium sulfate IUPAC Name: (2-phenylsulfanylethylamino)azanium sulfate Traditional Name: [2-(phenylthio)ethylamino]ammonium sulfate Formula: C16H26N4O4S3 MolecularWeight: 434.59704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCN[NH3+].C1=CC=C(C=C1)SCCN[NH3+].[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCN[NH3+].C1=CC=C(C=C1)SCCN[NH3+].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C8H12N2S.H2O4S/c2*9-10-6-7-11-8-4-2-1-3-5-8;1-5(2,3)4/h2*1-5,10H,6-7,9H2;(H2,1,2,3,4)