3-tert-butyl-5-ethyl-benzenesulfonic acid

Systemtic Name: 3-tert-butyl-5-ethyl-benzenesulfonic acid Openeye Name: 3-tert-butyl-5-ethyl-benzenesulfonic acid CAS Name: 3-tert-butyl-5-ethylbenzenesulfonic acid IUPAC Name: 3-tert-butyl-5-ethylbenzenesulfonic acid Traditional Name: 3-tert-butyl-5-ethyl-besylic acid Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)S(=O)(=O)O)C(C)(C)C

Isomeric SMILES

CCC1=CC(=CC(=C1)S(=O)(=O)O)C(C)(C)C

InChI

InChI=1S/C12H18O3S/c1-5-9-6-10(12(2,3)4)8-11(7-9)16(13,14)15/h6-8H,5H2,1-4H3,(H,13,14,15)