triazanium 5-sulfonatobenzene-1,3-dicarboxylate

Systemtic Name: triazanium 5-sulfonatobenzene-1,3-dicarboxylate Openeye Name: triammonium 5-sulfonatobenzene-1,3-dicarboxylate CAS Name: triammonium 5-sulfonatobenzene-1,3-dicarboxylate IUPAC Name: triazanium 5-sulfonatobenzene-1,3-dicarboxylate Traditional Name: triammonium 5-sulfonatoisophthalate Formula: C8H15N3O7S MolecularWeight: 297.2856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C1=C(C=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+]

InChI

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