(2-methoxyphenyl) 4-chloranyl-3,5-dinitro-benzenesulfonate

Systemtic Name: (2-methoxyphenyl) 4-chloranyl-3,5-dinitro-benzenesulfonate Openeye Name: (2-methoxyphenyl) 4-chloro-3,5-dinitro-benzenesulfonate CAS Name: 4-chloro-3,5-dinitrobenzenesulfonic acid (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 4-chloro-3,5-dinitrobenzenesulfonate Traditional Name: 4-chloro-3,5-dinitro-benzenesulfonic acid (2-methoxyphenyl) ester Formula: C13H9ClN2O8S MolecularWeight: 388.73716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1OS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H9ClN2O8S/c1-23-11-4-2-3-5-12(11)24-25(21,22)8-6-9(15(17)18)13(14)10(7-8)16(19)20/h2-7H,1H3