[3-(3-fluoranyl-4-oxidanyl-phenyl)-2,5-dimethoxy-6-(3-methoxy-4-phenylmethoxy-phenyl)phenyl] methanesulfonate

Systemtic Name: [3-(3-fluoranyl-4-oxidanyl-phenyl)-2,5-dimethoxy-6-(3-methoxy-4-phenylmethoxy-phenyl)phenyl] methanesulfonate Openeye Name: [2-(4-benzyloxy-3-methoxy-phenyl)-5-(3-fluoro-4-hydroxy-phenyl)-3,6-dimethoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-(3-fluoro-4-hydroxyphenyl)-2,5-dimethoxy-6-(3-methoxy-4-phenylmethoxyphenyl)phenyl] ester IUPAC Name: [3-(3-fluoro-4-hydroxyphenyl)-2,5-dimethoxy-6-(3-methoxy-4-phenylmethoxyphenyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(4-benzoxy-3-methoxy-phenyl)-5-(3-fluoro-4-hydroxy-phenyl)-3,6-dimethoxy-phenyl] ester Formula: C29H27FO8S MolecularWeight: 554.583283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC(=C(C=C3)O)F)OC)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC(=C(C=C3)O)F)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C29H27FO8S/c1-34-25-15-20(11-13-24(25)37-17-18-8-6-5-7-9-18)27-26(35-2)16-21(19-10-12-23(31)22(30)14-19)28(36-3)29(27)38-39(4,32)33/h5-16,31H,17H2,1-4H3