azanium disodium 5-sulfonatobenzene-1,3-dicarboxylate

Systemtic Name: azanium disodium 5-sulfonatobenzene-1,3-dicarboxylate Openeye Name: ammonium disodium 5-sulfonatobenzene-1,3-dicarboxylate CAS Name: ammonium disodium 5-sulfonatobenzene-1,3-dicarboxylate IUPAC Name: azanium disodium 5-sulfonatobenzene-1,3-dicarboxylate Traditional Name: ammonium disodium 5-sulfonatoisophthalate Formula: C8H7NNa2O7S MolecularWeight: 307.18822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O7S.H3N.2Na/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);1H3;;/q;;2*+1/p-2