N-phenylaniline; sulfooxy hydrogen sulfate

Systemtic Name: N-phenylaniline; sulfooxy hydrogen sulfate Openeye Name: N-phenylaniline; sulfooxy hydrogen sulfate CAS Name: N-phenylaniline; sulfuric acid sulfooxy ester IUPAC Name: N-phenylaniline; sulfooxy hydrogen sulfate Traditional Name: diphenylamine; sulfuric acid sulfoxy ester Formula: C12H13NO8S2 MolecularWeight: 363.36352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=CC=C2.OS(=O)(=O)OOS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=CC=C2.OS(=O)(=O)OOS(=O)(=O)O

InChI

InChI=1S/C12H11N.H2O8S2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2,3)7-8-10(4,5)6/h1-10,13H;(H,1,2,3)(H,4,5,6)