diazanium 3-sulfophthalate

Systemtic Name: diazanium 3-sulfophthalate Openeye Name: diammonium 3-sulfophthalate CAS Name: diammonium 3-sulfophthalate IUPAC Name: diazanium 3-sulfophthalate Traditional Name: diammonium 3-sulfophthalate Formula: C8H12N2O7S MolecularWeight: 280.25508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O7S.2H3N/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);2*1H3