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

Systemtic Name: (2-cyanophenyl) 4-bromanyl-3-methyl-benzenesulfonate Openeye Name: (2-cyanophenyl) 4-bromo-3-methyl-benzenesulfonate CAS Name: 4-bromo-3-methylbenzenesulfonic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 4-bromo-3-methylbenzenesulfonate Traditional Name: 4-bromo-3-methyl-benzenesulfonic acid (2-cyanophenyl) ester Formula: C14H10BrNO3S MolecularWeight: 352.2031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2C#N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2C#N)Br

InChI

InChI=1S/C14H10BrNO3S/c1-10-8-12(6-7-13(10)15)20(17,18)19-14-5-3-2-4-11(14)9-16/h2-8H,1H3