[4-[4-(3-fluoranyl-4-oxidanyl-phenyl)-2,3,5-trimethyl-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-(3-fluoranyl-4-oxidanyl-phenyl)-2,3,5-trimethyl-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(3-fluoro-4-hydroxy-phenyl)-2,3,5-trimethyl-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(3-fluoro-4-hydroxyphenyl)-2,3,5-trimethylphenyl]phenyl] ester IUPAC Name: [4-[4-(3-fluoro-4-hydroxyphenyl)-2,3,5-trimethylphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(3-fluoro-4-hydroxy-phenyl)-2,3,5-trimethyl-phenyl]phenyl] ester Formula: C22H21FO4S MolecularWeight: 400.463143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)C)C)C3=CC(=C(C=C3)O)F

Isomeric SMILES

CC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)C)C)C3=CC(=C(C=C3)O)F

InChI

InChI=1S/C22H21FO4S/c1-13-11-19(16-5-8-18(9-6-16)27-28(4,25)26)14(2)15(3)22(13)17-7-10-21(24)20(23)12-17/h5-12,24H,1-4H3