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

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(triphenylmethyl)piperidin-3-ol Openeye Name: 4-methylbenzenesulfonic acid; 1-tritylpiperidin-3-ol CAS Name: 4-methylbenzenesulfonic acid; 1-(triphenylmethyl)-3-piperidinol IUPAC Name: 4-methylbenzenesulfonic acid; 1-tritylpiperidin-3-ol Traditional Name: tosylic acid; 1-tritylpiperidin-3-ol Formula: C31H33NO4S MolecularWeight: 515.66302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(CN(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(CN(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C24H25NO.C7H8O3S/c26-23-17-10-18-25(19-23)24(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,11-16,23,26H,10,17-19H2;2-5H,1H3,(H,8,9,10)