4-methylbenzenesulfonic acid; 3-methyl-1-(triphenylmethyl)aziridin-2-ol

Systemtic Name: 4-methylbenzenesulfonic acid; 3-methyl-1-(triphenylmethyl)aziridin-2-ol Openeye Name: 4-methylbenzenesulfonic acid; 3-methyl-1-trityl-aziridin-2-ol CAS Name: 4-methylbenzenesulfonic acid; 3-methyl-1-(triphenylmethyl)-2-aziridinol IUPAC Name: 4-methylbenzenesulfonic acid; 3-methyl-1-tritylaziridin-2-ol Traditional Name: 3-methyl-1-trityl-ethylenimin-2-ol; tosylic acid Formula: C29H29NO4S MolecularWeight: 487.60986

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1C(N1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C22H21NO.C7H8O3S/c1-17-21(24)23(17)22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;1-6-2-4-7(5-3-6)11(8,9)10/h2-17,21,24H,1H3;2-5H,1H3,(H,8,9,10)