tert-butyl 6-[2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-yl-phenoxy]hexanoate

Systemtic Name: tert-butyl 6-[2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-yl-phenoxy]hexanoate Openeye Name: tert-butyl 6-[2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-isopropyl-phenoxy]hexanoate CAS Name: 6-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)thio]-6-propan-2-ylphenoxy]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-6-propan-2-ylphenoxy]hexanoate Traditional Name: 6-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)thio]-6-isopropyl-phenoxy]hexanoic acid tert-butyl ester Formula: C31H36F2O3S MolecularWeight: 526.677546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC(=C1)SC2=CC=C(C=C2)F)C3=CC=C(C=C3)F)OCCCCCC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C1=C(C(=CC(=C1)SC2=CC=C(C=C2)F)C3=CC=C(C=C3)F)OCCCCCC(=O)OC(C)(C)C

InChI

InChI=1S/C31H36F2O3S/c1-21(2)27-19-26(37-25-16-14-24(33)15-17-25)20-28(22-10-12-23(32)13-11-22)30(27)35-18-8-6-7-9-29(34)36-31(3,4)5/h10-17,19-21H,6-9,18H2,1-5H3