triazanium 4-sulfonatophthalate

Systemtic Name: triazanium 4-sulfonatophthalate Openeye Name: triammonium 4-sulfonatophthalate CAS Name: triammonium 4-sulfonatophthalate IUPAC Name: triazanium 4-sulfonatophthalate Traditional Name: triammonium 4-sulfonatophthalate Formula: C8H15N3O7S MolecularWeight: 297.2856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+]

InChI

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