4-methylbenzenesulfonate; (phenylmethyl) N-(2-oxidanylpropyl)carbamate

Systemtic Name: 4-methylbenzenesulfonate; (phenylmethyl) N-(2-oxidanylpropyl)carbamate Openeye Name: benzyl N-(2-hydroxypropyl)carbamate; 4-methylbenzenesulfonate CAS Name: N-(2-hydroxypropyl)carbamic acid (phenylmethyl) ester; 4-methylbenzenesulfonate IUPAC Name: benzyl N-(2-hydroxypropyl)carbamate; 4-methylbenzenesulfonate Traditional Name: N-(2-hydroxypropyl)carbamic acid benzyl ester tosylate Formula: C18H22NO6S- MolecularWeight: 380.43538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(CNC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(CNC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C11H15NO3.C7H8O3S/c1-9(13)7-12-11(14)15-8-10-5-3-2-4-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,9,13H,7-8H2,1H3,(H,12,14);2-5H,1H3,(H,8,9,10)/p-1