[3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-nitrobenzenesulfonate Openeye Name: [3-(3-aminooxypropoxy)-5-methyl-phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [3-(3-aminooxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-aminooxypropoxy)-5-methylphenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [3-(3-aminooxypropoxy)-5-methyl-phenyl] ester Formula: C16H18N2O7S MolecularWeight: 382.38832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OCCCON

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OCCCON

InChI

InChI=1S/C16H18N2O7S/c1-12-9-13(23-7-4-8-24-17)11-14(10-12)25-26(21,22)16-6-3-2-5-15(16)18(19)20/h2-3,5-6,9-11H,4,7-8,17H2,1H3