(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-(phenylsulfonyl)propanoate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-(phenylsulfonyl)propanoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H21FO6S MolecularWeight: 456.483343

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)CCS(=O)(=O)C4=CC=CC=C4)F

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)CCS(=O)(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C24H21FO6S/c25-20-13-18(15-29-22(26)11-12-32(27,28)21-9-5-2-6-10-21)23-19(14-20)16-30-24(31-23)17-7-3-1-4-8-17/h1-10,13-14,24H,11-12,15-16H2