8-sulfanylquinoline-5-sulfonic acid hydrate

Systemtic Name: 8-sulfanylquinoline-5-sulfonic acid hydrate Openeye Name: 8-sulfanylquinoline-5-sulfonic acid hydrate CAS Name: 8-mercapto-5-quinolinesulfonic acid hydrate IUPAC Name: 8-sulfanylquinoline-5-sulfonic acid hydrate Traditional Name: 8-mercaptoquinoline-5-sulfonic acid hydrate Formula: C9H9NO4S2 MolecularWeight: 259.30206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)S)S(=O)(=O)O.O

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)S)S(=O)(=O)O.O

InChI

InChI=1S/C9H7NO3S2.H2O/c11-15(12,13)8-4-3-7(14)9-6(8)2-1-5-10-9;/h1-5,14H,(H,11,12,13);1H2