(5-chloranylquinolin-8-yl) 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: (5-chloranylquinolin-8-yl) 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: (5-chloro-8-quinolyl) 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid (5-chloro-8-quinolyl) ester Formula: C15H8Cl2N2O5S MolecularWeight: 399.20542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H8Cl2N2O5S/c16-11-5-6-14(15-10(11)2-1-7-18-15)24-25(22,23)9-3-4-12(17)13(8-9)19(20)21/h1-8H