[4-[(2R,3R)-5-methanoyl-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(2R,3R)-5-methanoyl-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(2R,3R)-5-formyl-3-methyl-2,3-dihydrobenzofuran-2-yl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2R,3R)-5-formyl-3-methyl-2,3-dihydrobenzofuran-2-yl]phenyl] ester IUPAC Name: [4-[(2R,3R)-5-formyl-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(2R,3R)-5-formyl-3-methyl-coumaran-2-yl]phenyl] ester Formula: C23H20O5S MolecularWeight: 408.4669

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C1C=C(C=C2)C=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

C[C@H]1[C@@H](OC2=C1C=C(C=C2)C=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H20O5S/c1-15-3-10-20(11-4-15)29(25,26)28-19-8-6-18(7-9-19)23-16(2)21-13-17(14-24)5-12-22(21)27-23/h3-14,16,23H,1-2H3/t16-,23-/m1/s1