[4-[4-(3-fluoranyl-4-phenylmethoxy-phenyl)-2,3,6-trimethyl-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-(3-fluoranyl-4-phenylmethoxy-phenyl)-2,3,6-trimethyl-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-fluoro-phenyl)-2,3,6-trimethyl-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,3,6-trimethylphenyl]phenyl] ester IUPAC Name: [4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2,3,6-trimethylphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-fluoro-phenyl)-2,3,6-trimethyl-phenyl]phenyl] ester Formula: C29H27FO4S MolecularWeight: 490.585683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)F)C)C)C4=CC=C(C=C4)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)F)C)C)C4=CC=C(C=C4)OS(=O)(=O)C

InChI

InChI=1S/C29H27FO4S/c1-19-16-26(24-12-15-28(27(30)17-24)33-18-22-8-6-5-7-9-22)20(2)21(3)29(19)23-10-13-25(14-11-23)34-35(4,31)32/h5-17H,18H2,1-4H3