trisodium 8-oxidanylquinoline-5-sulfonate

Systemtic Name: trisodium 8-oxidanylquinoline-5-sulfonate Openeye Name: trisodium 8-hydroxyquinoline-5-sulfonate CAS Name: trisodium 8-hydroxy-5-quinolinesulfonate IUPAC Name: trisodium 8-hydroxyquinoline-5-sulfonate Traditional Name: trisodium 8-hydroxyquinoline-5-sulfonate Formula: C27H18N3Na3O12S3 MolecularWeight: 741.60903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/3C9H7NO4S.3Na/c3*11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;;;/h3*1-5,11H,(H,12,13,14);;;/q;;;3*+1/p-3