(2-methylquinolin-8-yl) 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: (2-methylquinolin-8-yl) 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C16H11ClN2O5S MolecularWeight: 378.78694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O5S/c1-10-5-6-11-3-2-4-15(16(11)18-10)24-25(22,23)12-7-8-13(17)14(9-12)19(20)21/h2-9H,1H3