(4E)-10-methoxy-1-phenyl-4-[[2-(sulfanylmethyl)phenyl]methylidene]deca-1,5-diyn-3-ol

Systemtic Name: (4E)-10-methoxy-1-phenyl-4-[[2-(sulfanylmethyl)phenyl]methylidene]deca-1,5-diyn-3-ol Openeye Name: (4E)-10-methoxy-1-phenyl-4-[[2-(sulfanylmethyl)phenyl]methylene]deca-1,5-diyn-3-ol CAS Name: (4E)-4-[[2-(mercaptomethyl)phenyl]methylidene]-10-methoxy-1-phenyl-3-deca-1,5-diynol IUPAC Name: (4E)-10-methoxy-1-phenyl-4-[[2-(sulfanylmethyl)phenyl]methylidene]deca-1,5-diyn-3-ol Traditional Name: (4E)-4-[2-(mercaptomethyl)benzylidene]-10-methoxy-1-phenyl-deca-1,5-diyn-3-ol Formula: C25H26O2S MolecularWeight: 390.53774

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCC#CC(=CC1=CC=CC=C1CS)C(C#CC2=CC=CC=C2)O

Isomeric SMILES

COCCCCC#C/C(=C\C1=CC=CC=C1CS)/C(C#CC2=CC=CC=C2)O

InChI

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