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

Systemtic Name: (2-nitrophenyl) 4-bromanyl-3-methyl-benzenesulfonate Openeye Name: (2-nitrophenyl) 4-bromo-3-methyl-benzenesulfonate CAS Name: 4-bromo-3-methylbenzenesulfonic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 4-bromo-3-methylbenzenesulfonate Traditional Name: 4-bromo-3-methyl-benzenesulfonic acid (2-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=CC=C2[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

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