4-methylbenzenesulfonic acid; (phenylmethyl) N-(2-hydroxyethyl)carbamate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) N-(2-hydroxyethyl)carbamate Openeye Name: benzyl N-(2-hydroxyethyl)carbamate; 4-methylbenzenesulfonic acid CAS Name: N-(2-hydroxyethyl)carbamic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl N-(2-hydroxyethyl)carbamate; 4-methylbenzenesulfonic acid Traditional Name: N-(2-hydroxyethyl)carbamic acid benzyl ester; tosylic acid Formula: C17H21NO6S MolecularWeight: 367.41674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)NCCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)NCCO

InChI

InChI=1S/C10H13NO3.C7H8O3S/c12-7-6-11-10(13)14-8-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,12H,6-8H2,(H,11,13);2-5H,1H3,(H,8,9,10)