4-methylbenzenesulfonate; 3-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-ol

Systemtic Name: 4-methylbenzenesulfonate; 3-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-ol Openeye Name: 3-(5-benzyloxy-2,3-dihydrobenzofuran-6-yl)propan-1-ol; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 3-(5-phenylmethoxy-2,3-dihydrobenzofuran-6-yl)-1-propanol IUPAC Name: 4-methylbenzenesulfonate; 3-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-ol Traditional Name: 3-(5-benzoxycoumaran-6-yl)propan-1-ol tosylate Formula: C25H27O6S- MolecularWeight: 455.54328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1COC2=CC(=C(C=C21)OCC3=CC=CC=C3)CCCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1COC2=CC(=C(C=C21)OCC3=CC=CC=C3)CCCO

InChI

InChI=1S/C18H20O3.C7H8O3S/c19-9-4-7-15-11-17-16(8-10-20-17)12-18(15)21-13-14-5-2-1-3-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6,11-12,19H,4,7-10,13H2;2-5H,1H3,(H,8,9,10)/p-1