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azanium 3,4-dicarboxybenzenesulfonate

azanium 3,4-dicarboxybenzenesulfonate

Systemtic Name:azanium 3,4-dicarboxybenzenesulfonate
Openeye Name:ammonium 3,4-dicarboxybenzenesulfonate
CAS Name:ammonium 3,4-dicarboxybenzenesulfonate
IUPAC Name:azanium 3,4-dicarboxybenzenesulfonate
Traditional Name:ammonium 3,4-dicarboxybesylate
Formula: C8H9NO7S
MolecularWeight: 263.22456
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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+]


Isomeric SMILES

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


InChI

InChI=1S/C8H6O7S.H3N/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);1H3


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