(5E)-11-methoxy-1-phenylsulfanyl-5-[[2-(sulfanylmethyl)phenyl]methylidene]undeca-2,6-diyn-4-ol

Systemtic Name: (5E)-11-methoxy-1-phenylsulfanyl-5-[[2-(sulfanylmethyl)phenyl]methylidene]undeca-2,6-diyn-4-ol Openeye Name: (5E)-11-methoxy-1-phenylsulfanyl-5-[[2-(sulfanylmethyl)phenyl]methylene]undeca-2,6-diyn-4-ol CAS Name: (5E)-5-[[2-(mercaptomethyl)phenyl]methylidene]-11-methoxy-1-(phenylthio)-4-undeca-2,6-diynol IUPAC Name: (5E)-11-methoxy-1-phenylsulfanyl-5-[[2-(sulfanylmethyl)phenyl]methylidene]undeca-2,6-diyn-4-ol Traditional Name: (5E)-5-[2-(mercaptomethyl)benzylidene]-11-methoxy-1-(phenylthio)undeca-2,6-diyn-4-ol Formula: C26H28O2S2 MolecularWeight: 436.62932

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCC#CC(=CC1=CC=CC=C1CS)C(C#CCSC2=CC=CC=C2)O

Isomeric SMILES

COCCCCC#C/C(=C\C1=CC=CC=C1CS)/C(C#CCSC2=CC=CC=C2)O

InChI

InChI=1S/C26H28O2S2/c1-28-18-10-3-2-5-13-23(20-22-12-8-9-14-24(22)21-29)26(27)17-11-19-30-25-15-6-4-7-16-25/h4,6-9,12,14-16,20,26-27,29H,2-3,10,18-19,21H2,1H3/b23-20+