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

Systemtic Name: tert-butyl 6-[2-(4-fluorophenyl)-4-phenylsulfanyl-6-propan-2-yl-phenoxy]hexanoate Openeye Name: tert-butyl 6-[2-(4-fluorophenyl)-6-isopropyl-4-phenylsulfanyl-phenoxy]hexanoate CAS Name: 6-[2-(4-fluorophenyl)-4-(phenylthio)-6-propan-2-ylphenoxy]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[2-(4-fluorophenyl)-4-phenylsulfanyl-6-propan-2-ylphenoxy]hexanoate Traditional Name: 6-[2-(4-fluorophenyl)-6-isopropyl-4-(phenylthio)phenoxy]hexanoic acid tert-butyl ester Formula: C31H37FO3S MolecularWeight: 508.687083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37FO3S/c1-22(2)27-20-26(36-25-12-8-6-9-13-25)21-28(23-15-17-24(32)18-16-23)30(27)34-19-11-7-10-14-29(33)35-31(3,4)5/h6,8-9,12-13,15-18,20-22H,7,10-11,14,19H2,1-5H3