(2,2,4-trimethyl-1H-quinolin-6-yl) 4-nitrobenzenesulfonate

Systemtic Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 4-nitrobenzenesulfonate Openeye Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester IUPAC Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C)C

Isomeric SMILES

CC1=CC(NC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C)C

InChI

InChI=1S/C18H18N2O5S/c1-12-11-18(2,3)19-17-9-6-14(10-16(12)17)25-26(23,24)15-7-4-13(5-8-15)20(21)22/h4-11,19H,1-3H3