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

Systemtic Name: 2-(2-butylsulfanylethylsulfanyl)-1-naphthalen-1-yl-2-propan-2-yl-oct-3-yn-1-ol Openeye Name: 2-(2-butylsulfanylethylsulfanyl)-2-isopropyl-1-(1-naphthyl)oct-3-yn-1-ol CAS Name: 2-[2-(butylthio)ethylthio]-1-(1-naphthalenyl)-2-propan-2-yl-3-octyn-1-ol IUPAC Name: 2-(2-butylsulfanylethylsulfanyl)-1-naphthalen-1-yl-2-propan-2-yloct-3-yn-1-ol Traditional Name: 2-[2-(butylthio)ethylthio]-2-isopropyl-1-(1-naphthyl)oct-3-yn-1-ol Formula: C27H38OS2 MolecularWeight: 442.72002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C(C)C)(C(C1=CC=CC2=CC=CC=C21)O)SCCSCCCC

Isomeric SMILES

CCCCC#CC(C(C)C)(C(C1=CC=CC2=CC=CC=C21)O)SCCSCCCC

InChI

InChI=1S/C27H38OS2/c1-5-7-9-12-18-27(22(3)4,30-21-20-29-19-8-6-2)26(28)25-17-13-15-23-14-10-11-16-24(23)25/h10-11,13-17,22,26,28H,5-9,19-21H2,1-4H3