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: C18H16N2O7S4 MolecularWeight: 500.58884

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/2C9H7NO3S2.H2O/c2*11-15(12,13)8-4-3-7(14)9-6(8)2-1-5-10-9;/h2*1-5,14H,(H,11,12,13);1H2