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

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

Systemtic Name:4-methylbenzenesulfonic acid; 1-(triphenylmethyl)azetidin-3-ol
Openeye Name:4-methylbenzenesulfonic acid; 1-tritylazetidin-3-ol
CAS Name:4-methylbenzenesulfonic acid; 1-(triphenylmethyl)-3-azetidinol
IUPAC Name:4-methylbenzenesulfonic acid; 1-tritylazetidin-3-ol
Traditional Name:tosylic acid; 1-tritylazetidin-3-ol
Formula: C29H29NO4S
MolecularWeight: 487.60986
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O


InChI

InChI=1S/C22H21NO.C7H8O3S/c24-21-16-23(17-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-6-2-4-7(5-3-6)11(8,9)10/h1-15,21,24H,16-17H2;2-5H,1H3,(H,8,9,10)


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