4-methyl-3-(2-propan-2-yloxyethyl)benzenesulfonic acid

Systemtic Name: 4-methyl-3-(2-propan-2-yloxyethyl)benzenesulfonic acid Openeye Name: 3-(2-isopropoxyethyl)-4-methyl-benzenesulfonic acid CAS Name: 4-methyl-3-(2-propan-2-yloxyethyl)benzenesulfonic acid IUPAC Name: 4-methyl-3-(2-propan-2-yloxyethyl)benzenesulfonic acid Traditional Name: 3-(2-isopropoxyethyl)-4-methyl-besylic acid Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)CCOC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)CCOC(C)C

InChI

InChI=1S/C12H18O4S/c1-9(2)16-7-6-11-8-12(17(13,14)15)5-4-10(11)3/h4-5,8-9H,6-7H2,1-3H3,(H,13,14,15)