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

Systemtic Name: 4-methylbenzenesulfonic acid; 2-methyl-1-(triphenylmethyl)azetidin-3-ol Openeye Name: 4-methylbenzenesulfonic acid; 2-methyl-1-trityl-azetidin-3-ol CAS Name: 4-methylbenzenesulfonic acid; 2-methyl-1-(triphenylmethyl)-3-azetidinol IUPAC Name: 4-methylbenzenesulfonic acid; 2-methyl-1-tritylazetidin-3-ol Traditional Name: 2-methyl-1-trityl-azetidin-3-ol; tosylic acid Formula: C30H31NO4S MolecularWeight: 501.63644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(CN1C(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(CN1C(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/C23H23NO.C7H8O3S/c1-18-22(25)17-24(18)23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;1-6-2-4-7(5-3-6)11(8,9)10/h2-16,18,22,25H,17H2,1H3;2-5H,1H3,(H,8,9,10)