7-(2-chloranyl-4-nitro-phenyl)sulfonylisoquinoline sulfate

Systemtic Name: 7-(2-chloranyl-4-nitro-phenyl)sulfonylisoquinoline sulfate Openeye Name: 7-(2-chloro-4-nitro-phenyl)sulfonylisoquinoline sulfate CAS Name: 7-(2-chloro-4-nitrophenyl)sulfonylisoquinoline sulfate IUPAC Name: 7-(2-chloro-4-nitrophenyl)sulfonylisoquinoline sulfate Traditional Name: 7-(2-chloro-4-nitro-phenyl)sulfonylisoquinoline sulfate Formula: C15H9ClN2O8S2-2 MolecularWeight: 444.82356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN=C2)S(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC2=C1C=CN=C2)S(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C15H9ClN2O4S.H2O4S/c16-14-8-12(18(19)20)2-4-15(14)23(21,22)13-3-1-10-5-6-17-9-11(10)7-13;1-5(2,3)4/h1-9H;(H2,1,2,3,4)/p-2