5-(4-fluoranylphenoxy)-4-phenylmethoxy-pentan-1-ol; 4-methylbenzenesulfonate

Systemtic Name: 5-(4-fluoranylphenoxy)-4-phenylmethoxy-pentan-1-ol; 4-methylbenzenesulfonate Openeye Name: 4-benzyloxy-5-(4-fluorophenoxy)pentan-1-ol; 4-methylbenzenesulfonate CAS Name: 5-(4-fluorophenoxy)-4-phenylmethoxy-1-pentanol; 4-methylbenzenesulfonate IUPAC Name: 5-(4-fluorophenoxy)-4-phenylmethoxypentan-1-ol; 4-methylbenzenesulfonate Traditional Name: 4-benzoxy-5-(4-fluorophenoxy)pentan-1-ol tosylate Formula: C25H28FO6S- MolecularWeight: 475.549623

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(CCCO)COC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)COC(CCCO)COC2=CC=C(C=C2)F

InChI

InChI=1S/C18H21FO3.C7H8O3S/c19-16-8-10-17(11-9-16)22-14-18(7-4-12-20)21-13-15-5-2-1-3-6-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6,8-11,18,20H,4,7,12-14H2;2-5H,1H3,(H,8,9,10)/p-1