[4-[5-(3-fluoranyl-4-phenylmethoxy-phenyl)-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate

Systemtic Name: [4-[5-(3-fluoranyl-4-phenylmethoxy-phenyl)-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate Openeye Name: [4-[5-(4-benzyloxy-3-fluoro-phenyl)-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[5-(3-fluoro-4-phenylmethoxyphenyl)-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] ester IUPAC Name: [4-[5-(3-fluoro-4-phenylmethoxyphenyl)-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[5-(4-benzoxy-3-fluoro-phenyl)-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] ester Formula: C29H25FO7S MolecularWeight: 536.568003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C(=C1)C3=CC=C(C=C3)OS(=O)(=O)C)OCCO2)C4=CC(=C(C=C4)OCC5=CC=CC=C5)F

Isomeric SMILES

COC1=C(C2=C(C(=C1)C3=CC=C(C=C3)OS(=O)(=O)C)OCCO2)C4=CC(=C(C=C4)OCC5=CC=CC=C5)F

InChI

InChI=1S/C29H25FO7S/c1-33-26-17-23(20-8-11-22(12-9-20)37-38(2,31)32)28-29(35-15-14-34-28)27(26)21-10-13-25(24(30)16-21)36-18-19-6-4-3-5-7-19/h3-13,16-17H,14-15,18H2,1-2H3