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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1COC2=C1C(=C(C=C2)OCC3=CC=CC=C3)CCCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1COC2=C1C(=C(C=C2)OCC3=CC=CC=C3)CCCO

InChI

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