(2-bromanyl-6-nitro-phenyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (2-bromanyl-6-nitro-phenyl)methyl 4-methylbenzenesulfonate Openeye Name: (2-bromo-6-nitro-phenyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-bromo-6-nitrophenyl)methyl ester IUPAC Name: (2-bromo-6-nitrophenyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-bromo-6-nitro-benzyl) ester Formula: C14H12BrNO5S MolecularWeight: 386.21778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=CC=C2Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=CC=C2Br)[N+](=O)[O-]

InChI

InChI=1S/C14H12BrNO5S/c1-10-5-7-11(8-6-10)22(19,20)21-9-12-13(15)3-2-4-14(12)16(17)18/h2-8H,9H2,1H3