[3-[(4-fluoranyl-3-phenoxy-phenyl)methoxy]-2,2-dimethyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(4-fluoranyl-3-phenoxy-phenyl)methoxy]-2,2-dimethyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-[(4-fluoro-3-phenoxy-phenyl)methoxy]-2,2-dimethyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(4-fluoro-3-phenoxyphenyl)methoxy]-2,2-dimethylpropyl] ester IUPAC Name: [3-[(4-fluoro-3-phenoxyphenyl)methoxy]-2,2-dimethylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(4-fluoro-3-phenoxy-benzyl)oxy-2,2-dimethyl-propyl] ester Formula: C25H27FO5S MolecularWeight: 458.542283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)COCC2=CC(=C(C=C2)F)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)COCC2=CC(=C(C=C2)F)OC3=CC=CC=C3

InChI

InChI=1S/C25H27FO5S/c1-19-9-12-22(13-10-19)32(27,28)30-18-25(2,3)17-29-16-20-11-14-23(26)24(15-20)31-21-7-5-4-6-8-21/h4-15H,16-18H2,1-3H3