pyridin-3-yl 4-[(2-chloranyl-4-nitro-phenoxy)methyl]benzenesulfonate

Systemtic Name: pyridin-3-yl 4-[(2-chloranyl-4-nitro-phenoxy)methyl]benzenesulfonate Openeye Name: 3-pyridyl 4-[(2-chloro-4-nitro-phenoxy)methyl]benzenesulfonate CAS Name: 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonate Traditional Name: 4-[(2-chloro-4-nitro-phenoxy)methyl]benzenesulfonic acid 3-pyridyl ester Formula: C18H13ClN2O6S MolecularWeight: 420.82362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OS(=O)(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CN=C1)OS(=O)(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN2O6S/c19-17-10-14(21(22)23)5-8-18(17)26-12-13-3-6-16(7-4-13)28(24,25)27-15-2-1-9-20-11-15/h1-11H,12H2