(3-phenyl-2H-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (3-phenyl-2H-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (3-phenyl-2H-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-phenyl-2H-1,4-benzodioxin-3-yl)methyl ester IUPAC Name: (3-phenyl-2H-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-phenyl-2H-1,4-benzodioxin-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)OCC2(COC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(COC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

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