aniline; methoxybenzene; diazide; sulfate

Systemtic Name: aniline; methoxybenzene; diazide; sulfate Openeye Name: aniline; anisole; diazide; sulfate CAS Name: aniline; methoxybenzene; diazide; sulfate IUPAC Name: aniline; anisole; diazide; sulfate Traditional Name: anisole; phenylamine; diazide; sulfate Formula: C13H15N7O5S-4 MolecularWeight: 381.3671

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1.C1=CC=C(C=C1)N.[N-]=[N+]=[N-].[N-]=[N+]=[N-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1.C1=CC=C(C=C1)N.[N-]=[N+]=[N-].[N-]=[N+]=[N-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C7H8O.C6H7N.2N3.H2O4S/c1-8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;2*1-3-2;1-5(2,3)4/h2-6H,1H3;1-5H,7H2;;;(H2,1,2,3,4)/q;;2*-1;/p-2