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

Systemtic Name: [(2S,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S,3R)-2-phenyl-2,3-dihydrobenzofuran-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R)-2-phenyl-2,3-dihydrobenzofuran-3-yl]methyl ester IUPAC Name: [(2S,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R)-2-phenylcoumaran-3-yl]methyl ester Formula: C22H20O4S MolecularWeight: 380.4568

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H20O4S/c1-16-11-13-18(14-12-16)27(23,24)25-15-20-19-9-5-6-10-21(19)26-22(20)17-7-3-2-4-8-17/h2-14,20,22H,15H2,1H3/t20-,22+/m0/s1