diazanium octoxybenzene sulfate

Systemtic Name: diazanium octoxybenzene sulfate Openeye Name: diammonium octoxybenzene sulfate CAS Name: diammonium octoxybenzene sulfate IUPAC Name: diazanium octoxybenzene sulfate Traditional Name: diammonium octoxybenzene sulfate Formula: C14H30N2O5S MolecularWeight: 338.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1.[NH4+].[NH4+].[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1.[NH4+].[NH4+].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C14H22O.2H3N.H2O4S/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14;;;1-5(2,3)4/h7-9,11-12H,2-6,10,13H2,1H3;2*1H3;(H2,1,2,3,4)