(2-bromanyl-4-methyl-phenyl) 2-methoxy-5-nitro-benzenesulfonate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 2-methoxy-5-nitro-benzenesulfonate Openeye Name: (2-bromo-4-methyl-phenyl) 2-methoxy-5-nitro-benzenesulfonate CAS Name: 2-methoxy-5-nitrobenzenesulfonic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 2-methoxy-5-nitrobenzenesulfonate Traditional Name: 2-methoxy-5-nitro-benzenesulfonic acid (2-bromo-4-methyl-phenyl) ester Formula: C14H12BrNO6S MolecularWeight: 402.21718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC)Br

InChI

InChI=1S/C14H12BrNO6S/c1-9-3-5-12(11(15)7-9)22-23(19,20)14-8-10(16(17)18)4-6-13(14)21-2/h3-8H,1-2H3