3-bromanyl-2,4,6-trimethyl-benzenesulfonic acid

Systemtic Name: 3-bromanyl-2,4,6-trimethyl-benzenesulfonic acid Openeye Name: 3-bromo-2,4,6-trimethyl-benzenesulfonic acid CAS Name: 3-bromo-2,4,6-trimethylbenzenesulfonic acid IUPAC Name: 3-bromo-2,4,6-trimethylbenzenesulfonic acid Traditional Name: 3-bromo-2,4,6-trimethyl-besylic acid Formula: C9H11BrO3S MolecularWeight: 279.15084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)O)C)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)O)C)Br)C

InChI

InChI=1S/C9H11BrO3S/c1-5-4-6(2)9(14(11,12)13)7(3)8(5)10/h4H,1-3H3,(H,11,12,13)