3-tert-butyl-1-(diphenylmethyl)azetidine; 4-methylbenzenesulfonic acid

Systemtic Name: 3-tert-butyl-1-(diphenylmethyl)azetidine; 4-methylbenzenesulfonic acid Openeye Name: 1-benzhydryl-3-tert-butyl-azetidine; 4-methylbenzenesulfonic acid CAS Name: 3-tert-butyl-1-(diphenylmethyl)azetidine; 4-methylbenzenesulfonic acid IUPAC Name: 1-benzhydryl-3-tert-butylazetidine; 4-methylbenzenesulfonic acid Traditional Name: 1-benzhydryl-3-tert-butyl-azetidine; tosylic acid Formula: C27H33NO3S MolecularWeight: 451.62082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)C1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)C1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N.C7H8O3S/c1-20(2,3)18-14-21(15-18)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-6-2-4-7(5-3-6)11(8,9)10/h4-13,18-19H,14-15H2,1-3H3;2-5H,1H3,(H,8,9,10)