sodium 4-azanyl-3-carboxy-benzenesulfonate

Systemtic Name: sodium 4-azanyl-3-carboxy-benzenesulfonate Openeye Name: sodium 4-amino-3-carboxy-benzenesulfonate CAS Name: sodium 4-amino-3-carboxybenzenesulfonate IUPAC Name: sodium 4-amino-3-carboxybenzenesulfonate Traditional Name: sodium 4-amino-3-carboxy-besylate Formula: C7H6NNaO5S MolecularWeight: 239.18101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO5S.Na/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;/h1-3H,8H2,(H,9,10)(H,11,12,13);/q;+1/p-1