sodium 4-azanylbenzenesulfonate hydrate

Systemtic Name: sodium 4-azanylbenzenesulfonate hydrate Openeye Name: sodium 4-aminobenzenesulfonate hydrate CAS Name: sodium 4-aminobenzenesulfonate hydrate IUPAC Name: sodium 4-aminobenzenesulfonate hydrate Traditional Name: sodium 4-aminobesylate hydrate Formula: C6H8NNaO4S MolecularWeight: 213.18679

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)S(=O)(=O)[O-].O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1N)S(=O)(=O)[O-].O.[Na+]

InChI

InChI=1S/C6H7NO3S.Na.H2O/c7-5-1-3-6(4-2-5)11(8,9)10;;/h1-4H,7H2,(H,8,9,10);;1H2/q;+1;/p-1