(5E)-11-methoxy-5-(phenylmethylidene)-1-phenylsulfanyl-undeca-2,6-diyn-4-one

Systemtic Name: (5E)-11-methoxy-5-(phenylmethylidene)-1-phenylsulfanyl-undeca-2,6-diyn-4-one Openeye Name: (5E)-5-benzylidene-11-methoxy-1-phenylsulfanyl-undeca-2,6-diyn-4-one CAS Name: (5E)-11-methoxy-5-(phenylmethylene)-1-(phenylthio)-4-undeca-2,6-diynone IUPAC Name: (5E)-5-benzylidene-11-methoxy-1-phenylsulfanylundeca-2,6-diyn-4-one Traditional Name: (5E)-5-benzal-11-methoxy-1-(phenylthio)undeca-2,6-diyn-4-one Formula: C25H24O2S MolecularWeight: 388.52186

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCC#CC(=CC1=CC=CC=C1)C(=O)C#CCSC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C25H24O2S/c1-27-19-11-3-2-8-15-23(21-22-13-6-4-7-14-22)25(26)18-12-20-28-24-16-9-5-10-17-24/h4-7,9-10,13-14,16-17,21H,2-3,11,19-20H2,1H3/b23-21+