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

Systemtic Name: 4-methylbenzenesulfonic acid; 4-methyl-1-(triphenylmethyl)piperidin-3-ol Openeye Name: 4-methylbenzenesulfonic acid; 4-methyl-1-trityl-piperidin-3-ol CAS Name: 4-methylbenzenesulfonic acid; 4-methyl-1-(triphenylmethyl)-3-piperidinol IUPAC Name: 4-methylbenzenesulfonic acid; 4-methyl-1-tritylpiperidin-3-ol Traditional Name: 4-methyl-1-trityl-piperidin-3-ol; tosylic acid Formula: C32H35NO4S MolecularWeight: 529.6896

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1CCN(CC1O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C25H27NO.C7H8O3S/c1-20-17-18-26(19-24(20)27)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;1-6-2-4-7(5-3-6)11(8,9)10/h2-16,20,24,27H,17-19H2,1H3;2-5H,1H3,(H,8,9,10)