(2-bromanyl-6-ethoxy-4-methanoyl-phenyl) 2-nitrobenzenesulfonate

Systemtic Name: (2-bromanyl-6-ethoxy-4-methanoyl-phenyl) 2-nitrobenzenesulfonate Openeye Name: (2-bromo-6-ethoxy-4-formyl-phenyl) 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid (2-bromo-6-ethoxy-4-formylphenyl) ester IUPAC Name: (2-bromo-6-ethoxy-4-formylphenyl) 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid (2-bromo-6-ethoxy-4-formyl-phenyl) ester Formula: C15H12BrNO7S MolecularWeight: 430.22728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=O)Br)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=O)Br)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H12BrNO7S/c1-2-23-13-8-10(9-18)7-11(16)15(13)24-25(21,22)14-6-4-3-5-12(14)17(19)20/h3-9H,2H2,1H3