2-(2-methoxy-2-methyl-propyl)-4-methyl-benzenesulfonic acid

Systemtic Name: 2-(2-methoxy-2-methyl-propyl)-4-methyl-benzenesulfonic acid Openeye Name: 2-(2-methoxy-2-methyl-propyl)-4-methyl-benzenesulfonic acid CAS Name: 2-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonic acid IUPAC Name: 2-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonic acid Traditional Name: 2-(2-methoxy-2-methyl-propyl)-4-methyl-besylic acid Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CC(C)(C)OC

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CC(C)(C)OC

InChI

InChI=1S/C12H18O4S/c1-9-5-6-11(17(13,14)15)10(7-9)8-12(2,3)16-4/h5-7H,8H2,1-4H3,(H,13,14,15)