4-methyl-2-(3-methyl-3-oxidanyl-butyl)benzenesulfonic acid

Systemtic Name: 4-methyl-2-(3-methyl-3-oxidanyl-butyl)benzenesulfonic acid Openeye Name: 2-(3-hydroxy-3-methyl-butyl)-4-methyl-benzenesulfonic acid CAS Name: 2-(3-hydroxy-3-methylbutyl)-4-methylbenzenesulfonic acid IUPAC Name: 2-(3-hydroxy-3-methylbutyl)-4-methylbenzenesulfonic acid Traditional Name: 2-(3-hydroxy-3-methyl-butyl)-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)CCC(C)(C)O

Isomeric SMILES

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

InChI

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