(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-phenoxy-2,3-dihydrobenzofuran-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-phenoxy-2,3-dihydrobenzofuran-2-yl)methyl ester IUPAC Name: (5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-phenoxycoumaran-2-yl)methyl ester Formula: C22H20O5S MolecularWeight: 396.4562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3=C(O2)C=CC(=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3=C(O2)C=CC(=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H20O5S/c1-16-7-10-21(11-8-16)28(23,24)25-15-20-14-17-13-19(9-12-22(17)27-20)26-18-5-3-2-4-6-18/h2-13,20H,14-15H2,1H3