(2Z)-8-methoxy-1-phenyl-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-yn-1-ol

Systemtic Name: (2Z)-8-methoxy-1-phenyl-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-yn-1-ol Openeye Name: (2Z)-8-methoxy-1-phenyl-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-yn-1-ol CAS Name: (2Z)-8-methoxy-1-phenyl-2-[4-(phenylthio)but-2-ynylidene]-3-octyn-1-ol IUPAC Name: (2Z)-8-methoxy-1-phenyl-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-yn-1-ol Traditional Name: (Z)-2-(6-methoxyhex-1-ynyl)-1-phenyl-6-(phenylthio)hex-2-en-4-yn-1-ol Formula: C25H26O2S MolecularWeight: 390.53774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCCC#CC(=CC#CCSC1=CC=CC=C1)C(C2=CC=CC=C2)O

Isomeric SMILES

COCCCCC#C/C(=C/C#CCSC1=CC=CC=C1)/C(C2=CC=CC=C2)O

InChI

InChI=1S/C25H26O2S/c1-27-20-12-3-2-6-14-23(25(26)22-15-7-4-8-16-22)17-11-13-21-28-24-18-9-5-10-19-24/h4-5,7-10,15-19,25-26H,2-3,12,20-21H2,1H3/b23-17-