[(2S,3R)-2-(2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R)-2-(2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S,3R)-2-(2-hydroxyphenyl)-2,3-dihydrobenzofuran-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R)-2-(2-hydroxyphenyl)-2,3-dihydrobenzofuran-3-yl]methyl ester IUPAC Name: [(2S,3R)-2-(2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R)-2-(2-hydroxyphenyl)coumaran-3-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)OCC2C(OC3=CC=CC=C23)C4=CC=CC=C4O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H](OC3=CC=CC=C23)C4=CC=CC=C4O

InChI

InChI=1S/C22H20O5S/c1-15-10-12-16(13-11-15)28(24,25)26-14-19-17-6-3-5-9-21(17)27-22(19)18-7-2-4-8-20(18)23/h2-13,19,22-23H,14H2,1H3/t19-,22+/m0/s1