4-methylbenzenesulfonic acid; (4-methyl-1-oxidanylidene-1-phenylmethoxy-pentan-2-yl) pyridine-4-carboxylate

Systemtic Name: 4-methylbenzenesulfonic acid; (4-methyl-1-oxidanylidene-1-phenylmethoxy-pentan-2-yl) pyridine-4-carboxylate Openeye Name: (1-benzyloxycarbonyl-3-methyl-butyl) pyridine-4-carboxylate; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 4-pyridinecarboxylic acid (4-methyl-1-oxo-1-phenylmethoxypentan-2-yl) ester IUPAC Name: 4-methylbenzenesulfonic acid; (4-methyl-1-oxo-1-phenylmethoxypentan-2-yl) pyridine-4-carboxylate Traditional Name: isonicotinic acid (1-carbobenzoxy-3-methyl-butyl) ester; tosylic acid Formula: C26H29NO7S MolecularWeight: 499.57596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CC(C(=O)OCC1=CC=CC=C1)OC(=O)C2=CC=NC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CC(C(=O)OCC1=CC=CC=C1)OC(=O)C2=CC=NC=C2

InChI

InChI=1S/C19H21NO4.C7H8O3S/c1-14(2)12-17(24-18(21)16-8-10-20-11-9-16)19(22)23-13-15-6-4-3-5-7-15;1-6-2-4-7(5-3-6)11(8,9)10/h3-11,14,17H,12-13H2,1-2H3;2-5H,1H3,(H,8,9,10)