triazanium 2-carboxy-5-sulfonato-benzoate

Systemtic Name: triazanium 2-carboxy-5-sulfonato-benzoate Openeye Name: triammonium 2-carboxy-5-sulfonato-benzoate CAS Name: triammonium 2-carboxy-5-sulfonatobenzoate IUPAC Name: triazanium 2-carboxy-5-sulfonatobenzoate Traditional Name: triammonium 2-carboxy-5-sulfonato-benzoate Formula: C24H24N3O21S3-3 MolecularWeight: 786.64986

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/3C8H6O7S.3H3N/c3*9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12;;;/h3*1-3H,(H,9,10)(H,11,12)(H,13,14,15);3*1H3/p-3