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

Systemtic Name: [(2R,3S)-2-methyl-3-phenyl-2H-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R,3S)-2-methyl-3-phenyl-2H-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S)-2-methyl-3-phenyl-2H-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [(2R,3S)-2-methyl-3-phenyl-2H-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S)-2-methyl-3-phenyl-2H-1,4-benzodioxin-3-yl]methyl ester Formula: C23H22O5S MolecularWeight: 410.48278

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)(COS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1[C@@](OC2=CC=CC=C2O1)(COS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H22O5S/c1-17-12-14-20(15-13-17)29(24,25)26-16-23(19-8-4-3-5-9-19)18(2)27-21-10-6-7-11-22(21)28-23/h3-15,18H,16H2,1-2H3/t18-,23+/m1/s1