5-bromanyl-2-methoxy-4-methyl-benzenesulfonic acid

Systemtic Name: 5-bromanyl-2-methoxy-4-methyl-benzenesulfonic acid Openeye Name: 5-bromo-2-methoxy-4-methyl-benzenesulfonic acid CAS Name: 5-bromo-2-methoxy-4-methylbenzenesulfonic acid IUPAC Name: 5-bromo-2-methoxy-4-methylbenzenesulfonic acid Traditional Name: 5-bromo-2-methoxy-4-methyl-besylic acid Formula: C8H9BrO4S MolecularWeight: 281.12366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)S(=O)(=O)O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)S(=O)(=O)O)OC

InChI

InChI=1S/C8H9BrO4S/c1-5-3-7(13-2)8(4-6(5)9)14(10,11)12/h3-4H,1-2H3,(H,10,11,12)