[4-[4-(3-fluoranyl-4-phenylmethoxy-phenyl)-5-methoxy-2-(methoxymethoxy)-3-oxidanyl-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-(3-fluoranyl-4-phenylmethoxy-phenyl)-5-methoxy-2-(methoxymethoxy)-3-oxidanyl-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-fluoro-phenyl)-3-hydroxy-5-methoxy-2-(methoxymethoxy)phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(3-fluoro-4-phenylmethoxyphenyl)-3-hydroxy-5-methoxy-2-(methoxymethoxy)phenyl]phenyl] ester IUPAC Name: [4-[4-(3-fluoro-4-phenylmethoxyphenyl)-3-hydroxy-5-methoxy-2-(methoxymethoxy)phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-fluoro-phenyl)-3-hydroxy-5-methoxy-2-(methoxymethoxy)phenyl]phenyl] ester Formula: C29H27FO8S MolecularWeight: 554.583283

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=C(C(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)OC)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F)O

Isomeric SMILES

COCOC1=C(C(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)OC)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F)O

InChI

InChI=1S/C29H27FO8S/c1-34-18-37-29-23(20-9-12-22(13-10-20)38-39(3,32)33)16-26(35-2)27(28(29)31)21-11-14-25(24(30)15-21)36-17-19-7-5-4-6-8-19/h4-16,31H,17-18H2,1-3H3