1-(4-bromophenyl)-2-(2-butylsulfanylethylsulfanyl)-2-propan-2-yl-oct-3-yn-1-ol

Systemtic Name: 1-(4-bromophenyl)-2-(2-butylsulfanylethylsulfanyl)-2-propan-2-yl-oct-3-yn-1-ol Openeye Name: 1-(4-bromophenyl)-2-(2-butylsulfanylethylsulfanyl)-2-isopropyl-oct-3-yn-1-ol CAS Name: 1-(4-bromophenyl)-2-[2-(butylthio)ethylthio]-2-propan-2-yl-3-octyn-1-ol IUPAC Name: 1-(4-bromophenyl)-2-(2-butylsulfanylethylsulfanyl)-2-propan-2-yloct-3-yn-1-ol Traditional Name: 1-(4-bromophenyl)-2-[2-(butylthio)ethylthio]-2-isopropyl-oct-3-yn-1-ol Formula: C23H35BrOS2 MolecularWeight: 471.5574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C(C)C)(C(C1=CC=C(C=C1)Br)O)SCCSCCCC

Isomeric SMILES

CCCCC#CC(C(C)C)(C(C1=CC=C(C=C1)Br)O)SCCSCCCC

InChI

InChI=1S/C23H35BrOS2/c1-5-7-9-10-15-23(19(3)4,27-18-17-26-16-8-6-2)22(25)20-11-13-21(24)14-12-20/h11-14,19,22,25H,5-9,16-18H2,1-4H3