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

Systemtic Name: (3-methoxyphenyl) 4-[(2-chloranyl-4-nitro-phenoxy)methyl]benzenesulfonate Openeye Name: (3-methoxyphenyl) 4-[(2-chloro-4-nitro-phenoxy)methyl]benzenesulfonate CAS Name: 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonic acid (3-methoxyphenyl) ester IUPAC Name: (3-methoxyphenyl) 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonate Traditional Name: 4-[(2-chloro-4-nitro-phenoxy)methyl]benzenesulfonic acid (3-methoxyphenyl) ester Formula: C20H16ClNO7S MolecularWeight: 449.86154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H16ClNO7S/c1-27-16-3-2-4-17(12-16)29-30(25,26)18-8-5-14(6-9-18)13-28-20-10-7-15(22(23)24)11-19(20)21/h2-12H,13H2,1H3