4-methylbenzenesulfonic acid; (phenylmethyl) 1,2,3,4-tetrahydroisoquinolin-3-yl carbonate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 1,2,3,4-tetrahydroisoquinolin-3-yl carbonate Openeye Name: benzyl 1,2,3,4-tetrahydroisoquinolin-3-yl carbonate; 4-methylbenzenesulfonic acid CAS Name: carbonic acid (phenylmethyl) 1,2,3,4-tetrahydroisoquinolin-3-yl ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 1,2,3,4-tetrahydroisoquinolin-3-yl carbonate; 4-methylbenzenesulfonic acid Traditional Name: carbonic acid benzyl 1,2,3,4-tetrahydroisoquinolin-3-yl ester; tosylic acid Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(NCC2=CC=CC=C21)OC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(NCC2=CC=CC=C21)OC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H17NO3.C7H8O3S/c19-17(20-12-13-6-2-1-3-7-13)21-16-10-14-8-4-5-9-15(14)11-18-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,16,18H,10-12H2;2-5H,1H3,(H,8,9,10)