(4-nitrophenyl) 4-bromanyl-3-methyl-benzenesulfonate

Systemtic Name: (4-nitrophenyl) 4-bromanyl-3-methyl-benzenesulfonate Openeye Name: (4-nitrophenyl) 4-bromo-3-methyl-benzenesulfonate CAS Name: 4-bromo-3-methylbenzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-bromo-3-methylbenzenesulfonate Traditional Name: 4-bromo-3-methyl-benzenesulfonic acid (4-nitrophenyl) ester Formula: C13H10BrNO5S MolecularWeight: 372.1912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H10BrNO5S/c1-9-8-12(6-7-13(9)14)21(18,19)20-11-4-2-10(3-5-11)15(16)17/h2-8H,1H3