(2-methylquinolin-8-yl) 4-nitrobenzenesulfonate

Systemtic Name: (2-methylquinolin-8-yl) 4-nitrobenzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C1

InChI

InChI=1S/C16H12N2O5S/c1-11-5-6-12-3-2-4-15(16(12)17-11)23-24(21,22)14-9-7-13(8-10-14)18(19)20/h2-10H,1H3