(5-methyl-2-propyl-phenyl) 4-bromanylbenzenesulfonate

Systemtic Name: (5-methyl-2-propyl-phenyl) 4-bromanylbenzenesulfonate Openeye Name: (5-methyl-2-propyl-phenyl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (5-methyl-2-propylphenyl) ester IUPAC Name: (5-methyl-2-propylphenyl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (5-methyl-2-propyl-phenyl) ester Formula: C16H17BrO3S MolecularWeight: 369.27338

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCC1=C(C=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H17BrO3S/c1-3-4-13-6-5-12(2)11-16(13)20-21(18,19)15-9-7-14(17)8-10-15/h5-11H,3-4H2,1-2H3