(4-methanoyl-2-methoxy-phenyl) 3,4-dinitrobenzenesulfonate

Systemtic Name: (4-methanoyl-2-methoxy-phenyl) 3,4-dinitrobenzenesulfonate Openeye Name: (4-formyl-2-methoxy-phenyl) 3,4-dinitrobenzenesulfonate CAS Name: 3,4-dinitrobenzenesulfonic acid (4-formyl-2-methoxyphenyl) ester IUPAC Name: (4-formyl-2-methoxyphenyl) 3,4-dinitrobenzenesulfonate Traditional Name: 3,4-dinitrobenzenesulfonic acid (4-formyl-2-methoxy-phenyl) ester Formula: C14H10N2O9S MolecularWeight: 382.3022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O9S/c1-24-14-6-9(8-17)2-5-13(14)25-26(22,23)10-3-4-11(15(18)19)12(7-10)16(20)21/h2-8H,1H3