4-methylbenzenesulfonic acid; 8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid

Systemtic Name: 4-methylbenzenesulfonic acid; 8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid Openeye Name: 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid; 4-methylbenzenesulfonic acid CAS Name: 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid; 4-methylbenzenesulfonic acid IUPAC Name: 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid; 4-methylbenzenesulfonic acid Traditional Name: 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid; tosylic acid Formula: C16H23NO6S MolecularWeight: 357.42192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN1C2CCC1C(C(C2)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN1C2CCC1C(C(C2)O)C(=O)O

InChI

InChI=1S/C9H15NO3.C7H8O3S/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;1-6-2-4-7(5-3-6)11(8,9)10/h5-8,11H,2-4H2,1H3,(H,12,13);2-5H,1H3,(H,8,9,10)