4-chloranyl-1-oxidanyl-quinolin-1-ium sulfate

Systemtic Name: 4-chloranyl-1-oxidanyl-quinolin-1-ium sulfate Openeye Name: 4-chloro-1-hydroxy-quinolin-1-ium sulfate CAS Name: 4-chloro-1-hydroxyquinolin-1-ium sulfate IUPAC Name: 4-chloro-1-hydroxyquinolin-1-ium sulfate Traditional Name: 4-chloro-1-hydroxy-quinolin-1-ium sulfate Formula: C18H14Cl2N2O6S MolecularWeight: 457.28456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=[N+]2O)Cl.C1=CC=C2C(=C1)C(=CC=[N+]2O)Cl.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=[N+]2O)Cl.C1=CC=C2C(=C1)C(=CC=[N+]2O)Cl.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C9H7ClNO.H2O4S/c2*10-8-5-6-11(12)9-4-2-1-3-7(8)9;1-5(2,3)4/h2*1-6,12H;(H2,1,2,3,4)/q2*+1;/p-2