ethyl 9-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanyl-9-azabicyclo[3.3.1]nonane-7-carboxylate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl 9-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanyl-9-azabicyclo[3.3.1]nonane-7-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: ethyl 9-(2-ethoxy-2-oxo-ethyl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-7-carboxylate; 4-methylbenzenesulfonic acid CAS Name: 9-(2-ethoxy-2-oxoethyl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-7-carboxylic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl 9-(2-ethoxy-2-oxoethyl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-7-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: 9-(2-ethoxy-2-keto-ethyl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-7-carboxylic acid ethyl ester; tosylic acid Formula: C22H33NO8S MolecularWeight: 471.56432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2CC(CC1CC(C2)O)C(=O)OCC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)CN1C2CC(CC1CC(C2)O)C(=O)OCC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C15H25NO5.C7H8O3S/c1-3-20-14(18)9-16-11-5-10(15(19)21-4-2)6-12(16)8-13(17)7-11;1-6-2-4-7(5-3-6)11(8,9)10/h10-13,17H,3-9H2,1-2H3;2-5H,1H3,(H,8,9,10)